Cas no 924644-04-2 (1-Piperazinecarboxylic acid, 4-(4-amino-2-pyrimidinyl)-, phenylmethylester)
924644-04-2 structure
Product Name:1-Piperazinecarboxylic acid, 4-(4-amino-2-pyrimidinyl)-, phenylmethylester
CAS No:924644-04-2
MF:C16H19N5O2
MW:313.354362726212
CID:1975955
PubChem ID:69067784
Update Time:2025-04-21
1-Piperazinecarboxylic acid, 4-(4-amino-2-pyrimidinyl)-, phenylmethylester Chemical and Physical Properties
Names and Identifiers
-
- 1-Piperazinecarboxylic acid, 4-(4-amino-2-pyrimidinyl)-, phenylmethylester
- 1-piperazinecarboxylic acid,4-(4-amino-2-pyrimidinyl)-,phenylmethyl ester
- SCHEMBL4498884
- 924644-04-2
-
- Inchi： 1S/C16H19N5O2/c17-14-6-7-18-15(19-14)20-8-10-21(11-9-20)16(22)23-12-13-4-2-1-3-5-13/h1-7H,8-12H2,(H2,17,18,19)
- InChI Key： QZOYSDFPXNKRBR-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C(N1CCN(C2N=CC=C(N)N=2)CC1)=O
Computed Properties
- Exact Mass: 313.15387487Da
- Monoisotopic Mass: 313.15387487Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 381
- 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: 1.5
- Topological Polar Surface Area: 84.6?2
1-Piperazinecarboxylic acid, 4-(4-amino-2-pyrimidinyl)-, phenylmethylester Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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