Cas no 155930-17-9 (Butanamide,N-(6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1,3-dipropyl-5-pyrimidinyl)-4-chloro-)
155930-17-9 structure
Product Name:Butanamide,N-(6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1,3-dipropyl-5-pyrimidinyl)-4-chloro-
CAS No:155930-17-9
MF:C14H22ClN4O3
MW:329.802482128143
CID:107204
PubChem ID:76852017
Update Time:2025-04-18
Butanamide,N-(6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1,3-dipropyl-5-pyrimidinyl)-4-chloro- Chemical and Physical Properties
Names and Identifiers
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- Butanamide,N-(6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1,3-dipropyl-5-pyrimidinyl)-4-chloro-
- Butanamide, N-(6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1,3-dipropyl-5-pyrimidinyl)-4-chloro-
- 155930-17-9
- N-(6-Amino-2,4-dioxo-1,3-dipropyl-1,2,3,4-tetrahydro-5-pyrimidinyl)-4-chlorobutanamide
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- Inchi： 1S/C14H21ClN4O3/c1-3-8-18-12(16)11(17-10(20)6-5-7-15)13(21)19(9-4-2)14(18)22/h16H,3-9H2,1-2H3/p+1/b17-11-
- InChI Key： MWYXHUQITYQIII-BOPFTXTBSA-O
- SMILES： ClCCCC(/N=C1\C(N(C([N+](=C\1N)CCC)=O)CCC)=O)=O
Computed Properties
- Exact Mass: 330.14609
- Monoisotopic Mass: 329.138
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 528
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 95.8A^2
- XLogP3: 1.4
Experimental Properties
- PSA: 95.74
Butanamide,N-(6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1,3-dipropyl-5-pyrimidinyl)-4-chloro- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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