2-amino-N-pyrrolidin-3-ylpyrimidine-4-carboxamide

C9H13N5O — CID 142582873

IUPAC2-amino-N-pyrrolidin-3-ylpyrimidine-4-carboxamide
SMILESNc1nccc(C(=O)NC2CCNC2)n1
InChIInChI=1S/C9H13N5O/c10-9-12-4-2-7(14-9)8(15)13-6-1-3-11-5-6/h2,4,6,11H,1,3,5H2,(H,13,15)(H2,10,12,14)
InChIKeyIKWPYLRUPFPHPC-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.85
Rot. Bonds2

About 2-amino-N-pyrrolidin-3-ylpyrimidine-4-carboxamide

2-amino-N-pyrrolidin-3-ylpyrimidine-4-carboxamide (PubChem CID 142582873) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-amino-N-pyrrolidin-3-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-pyrrolidin-3-ylpyrimidine-4-carboxamide
PubChem CID142582873
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name2-amino-N-pyrrolidin-3-ylpyrimidine-4-carboxamide
SMILESNc1nccc(C(=O)NC2CCNC2)n1
InChIInChI=1S/C9H13N5O/c10-9-12-4-2-7(14-9)8(15)13-6-1-3-11-5-6/h2,4,6,11H,1,3,5H2,(H,13,15)(H2,10,12,14)
InChIKeyIKWPYLRUPFPHPC-UHFFFAOYSA-N
XLogP-0.85
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-pyrrolidin-3-ylpyrimidine-4-carboxamide;4-(5-chloro-2-hydroxybenzoyl)benzamide
CID 142582897
4-N-[(3S)-pyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 59631600
N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
CID 62378974
6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119451522
N-pyrrolidin-3-ylquinoxaline-2-carboxamide
CID 113265403
1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 103120955
4,6-dimethyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 166178324
N-pyrrolidin-3-ylquinoline-4-carboxamide
CID 81478788
N-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 168909107
4-amino-N-[(3S)-piperidin-3-yl]benzamide
CID 89225185
6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid
CID 61403349
N-[(3R)-pyrrolidin-3-yl]-1,2,5-thiadiazole-3-carboxamide
CID 79685297

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-pyrrolidin-3-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-pyrrolidin-3-ylpyrimidine-4-carboxamide (CID 142582873) is 2-amino-N-pyrrolidin-3-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-pyrrolidin-3-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-pyrrolidin-3-ylpyrimidine-4-carboxamide is Nc1nccc(C(=O)NC2CCNC2)n1.
What is the InChIKey of 2-amino-N-pyrrolidin-3-ylpyrimidine-4-carboxamide?
The InChIKey is IKWPYLRUPFPHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c10-9-12-4-2-7(14-9)8(15)13-6-1-3-11-5-6/h2,4,6,11H,1,3,5H2,(H,13,15)(H2,10,12,14).
What are the key properties of 2-amino-N-pyrrolidin-3-ylpyrimidine-4-carboxamide?
2-amino-N-pyrrolidin-3-ylpyrimidine-4-carboxamide has a molecular weight of 207.24 g/mol, XLogP of -0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-pyrrolidin-3-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 142582873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).