(3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid

C10H13ClN4O2 — CID 94830339

IUPAC(3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESNc1nc(Cl)cc(N2CCC[C@@H](C(=O)O)C2)n1
InChIInChI=1S/C10H13ClN4O2/c11-7-4-8(14-10(12)13-7)15-3-1-2-6(5-15)9(16)17/h4,6H,1-3,5H2,(H,16,17)(H2,12,13,14)/t6-/m1/s1
InChIKeyAEDMIVOAWHCGPK-ZCFIWIBFSA-N
MW256.69 g/mol
LogP1.01
Rot. Bonds2

About (3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid

(3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid (PubChem CID 94830339) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is (3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid
PubChem CID94830339
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name(3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESNc1nc(Cl)cc(N2CCC[C@@H](C(=O)O)C2)n1
InChIInChI=1S/C10H13ClN4O2/c11-7-4-8(14-10(12)13-7)15-3-1-2-6(5-15)9(16)17/h4,6H,1-3,5H2,(H,16,17)(H2,12,13,14)/t6-/m1/s1
InChIKeyAEDMIVOAWHCGPK-ZCFIWIBFSA-N
XLogP1.01
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 121204774
[(3S)-1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51983130
1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol
CID 47151307
4-chloro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-amine
CID 31537614
1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol
CID 72687128
4-chloro-6-(3-methylsulfanylazepan-1-yl)pyrimidin-2-amine
CID 133395200
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-6-chloropyrimidin-2-amine
CID 112725444
4-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-6-chloropyrimidin-2-amine
CID 124784815
4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylic acid
CID 118063077
1-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one
CID 47420600
1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidine-3-carboxamide
CID 80756026
4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine
CID 80735813

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid (CID 94830339) is (3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid is Nc1nc(Cl)cc(N2CCC[C@@H](C(=O)O)C2)n1.
What is the InChIKey of (3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is AEDMIVOAWHCGPK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c11-7-4-8(14-10(12)13-7)15-3-1-2-6(5-15)9(16)17/h4,6H,1-3,5H2,(H,16,17)(H2,12,13,14)/t6-/m1/s1.
What are the key properties of (3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid?
(3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 256.69 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 94830339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).