6-(3-aminopyrrolidin-1-yl)-5-chloropyrimidine-4-carboxamide

C9H12ClN5O — CID 123430180

IUPAC6-(3-aminopyrrolidin-1-yl)-5-chloropyrimidine-4-carboxamide
SMILESNC(=O)c1ncnc(N2CCC(N)C2)c1Cl
InChIInChI=1S/C9H12ClN5O/c10-6-7(8(12)16)13-4-14-9(6)15-2-1-5(11)3-15/h4-5H,1-3,11H2,(H2,12,16)
InChIKeyXDDRAAWSYGVOTE-UHFFFAOYSA-N
MW241.68 g/mol
LogP-0.23
Rot. Bonds2

About 6-(3-aminopyrrolidin-1-yl)-5-chloropyrimidine-4-carboxamide

6-(3-aminopyrrolidin-1-yl)-5-chloropyrimidine-4-carboxamide (PubChem CID 123430180) has the molecular formula C9H12ClN5O and a molecular weight of 241.68 g/mol. Its IUPAC name is 6-(3-aminopyrrolidin-1-yl)-5-chloropyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-aminopyrrolidin-1-yl)-5-chloropyrimidine-4-carboxamide
PubChem CID123430180
Molecular FormulaC9H12ClN5O
Molecular Weight241.68 g/mol
Exact Mass241.07
IUPAC Name6-(3-aminopyrrolidin-1-yl)-5-chloropyrimidine-4-carboxamide
SMILESNC(=O)c1ncnc(N2CCC(N)C2)c1Cl
InChIInChI=1S/C9H12ClN5O/c10-6-7(8(12)16)13-4-14-9(6)15-2-1-5(11)3-15/h4-5H,1-3,11H2,(H2,12,16)
InChIKeyXDDRAAWSYGVOTE-UHFFFAOYSA-N
XLogP-0.23
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-3-carboxylate
CID 114049878
1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 75114982
2-(3-aminopyrrolidin-1-yl)-5-chloropyridine-4-carboxylic acid
CID 114919529
5-chloro-6-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-amine
CID 106812346
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 62067433
7-(3-aminopyrrolidin-1-yl)-8-chloro-1-methylpyrido[4,3-d]pyrimidine-2,4-dione
CID 59074312
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloropyrimidin-4-amine
CID 106811734
(3S)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-amine
CID 71643980
3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one
CID 129394339
(3S)-1-(3-methylpyrazin-2-yl)pyrrolidin-3-amine;hydrochloride
CID 71639291
3-(3-aminopyrrolidin-1-yl)-1-ethylpyrazin-2-one
CID 62928142
(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 68801517

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopyrrolidin-1-yl)-5-chloropyrimidine-4-carboxamide?
The IUPAC name of 6-(3-aminopyrrolidin-1-yl)-5-chloropyrimidine-4-carboxamide (CID 123430180) is 6-(3-aminopyrrolidin-1-yl)-5-chloropyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-aminopyrrolidin-1-yl)-5-chloropyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-aminopyrrolidin-1-yl)-5-chloropyrimidine-4-carboxamide is NC(=O)c1ncnc(N2CCC(N)C2)c1Cl.
What is the InChIKey of 6-(3-aminopyrrolidin-1-yl)-5-chloropyrimidine-4-carboxamide?
The InChIKey is XDDRAAWSYGVOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5O/c10-6-7(8(12)16)13-4-14-9(6)15-2-1-5(11)3-15/h4-5H,1-3,11H2,(H2,12,16).
What are the key properties of 6-(3-aminopyrrolidin-1-yl)-5-chloropyrimidine-4-carboxamide?
6-(3-aminopyrrolidin-1-yl)-5-chloropyrimidine-4-carboxamide has a molecular weight of 241.68 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopyrrolidin-1-yl)-5-chloropyrimidine-4-carboxamide is sourced from PubChem (CID 123430180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).