Cas no 7498-16-0 (Formamide,N-(4-amino-6-chloro-5-pyrimidinyl)-N-butyl-)
7498-16-0 structure
Product Name:Formamide,N-(4-amino-6-chloro-5-pyrimidinyl)-N-butyl-
CAS No:7498-16-0
MF:C9H13ClN4O
MW:228.678720235825
CID:573878
PubChem ID:348183
Update Time:2025-04-19
Formamide,N-(4-amino-6-chloro-5-pyrimidinyl)-N-butyl- Chemical and Physical Properties
Names and Identifiers
-
- Formamide,N-(4-amino-6-chloro-5-pyrimidinyl)-N-butyl-
- N-(4-amino-6-chloropyrimidin-5-yl)-N-butylformamide
- AC1L88ZP
- N-(4-amino-6-chloro-pyrimidin-5-yl)-N-butyl-formamide
- N-< 4-Amino-6-chlor-pyrimidin-5-yl> -N-butyl-formamid
- NSC407345
- N-(4-Amino-6-chloro-5-pyrimidinyl)-N-butylformamide
- NSC-407345
- DTXSID10324643
- 7498-16-0
-
- Inchi： 1S/C9H13ClN4O/c1-2-3-4-14(6-15)7-8(10)12-5-13-9(7)11/h5-6H,2-4H2,1H3,(H2,11,12,13)
- InChI Key： NCJVYHHJFKBUDJ-UHFFFAOYSA-N
- SMILES： ClC1=C(C(N)=NC=N1)N(C=O)CCCC
Computed Properties
- Exact Mass: 228.07799
- Monoisotopic Mass: 228.0777887g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 205
- 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
- XLogP3: 1.4
- Topological Polar Surface Area: 72.1?2
Experimental Properties
- PSA: 72.11
- LogP: 2.69220
Formamide,N-(4-amino-6-chloro-5-pyrimidinyl)-N-butyl- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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