4-chloro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-amine

C10H15ClN4 — CID 31537614

IUPAC4-chloro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-amine
SMILESC[C@@H]1CCCN(c2cc(Cl)nc(N)n2)C1
InChIInChI=1S/C10H15ClN4/c1-7-3-2-4-15(6-7)9-5-8(11)13-10(12)14-9/h5,7H,2-4,6H2,1H3,(H2,12,13,14)/t7-/m1/s1
InChIKeyQJKXESMRZDFUGW-SSDOTTSWSA-N
MW226.71 g/mol
LogP1.95
Rot. Bonds1

About 4-chloro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-amine

4-chloro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-amine (PubChem CID 31537614) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-chloro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-amine
PubChem CID31537614
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name4-chloro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-amine
SMILESC[C@@H]1CCCN(c2cc(Cl)nc(N)n2)C1
InChIInChI=1S/C10H15ClN4/c1-7-3-2-4-15(6-7)9-5-8(11)13-10(12)14-9/h5,7H,2-4,6H2,1H3,(H2,12,13,14)/t7-/m1/s1
InChIKeyQJKXESMRZDFUGW-SSDOTTSWSA-N
XLogP1.95
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol
CID 47151307
4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine
CID 129380887
4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine
CID 80735813
(3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid
CID 94830339
4-chloro-6-(3-methylsulfanylazepan-1-yl)pyrimidin-2-amine
CID 133395200
2-chloro-6-(3-methylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 43166580
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-6-chloropyrimidin-2-amine
CID 112725444
1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol
CID 72687128
5-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133497526
[(3S)-1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51983130
2-chloro-6-(3-methylpiperidin-1-yl)pyrazine
CID 53409115
4-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-6-chloropyrimidin-2-amine
CID 124784815

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-amine (CID 31537614) is 4-chloro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-amine is C[C@@H]1CCCN(c2cc(Cl)nc(N)n2)C1.
What is the InChIKey of 4-chloro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-amine?
The InChIKey is QJKXESMRZDFUGW-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-7-3-2-4-15(6-7)9-5-8(11)13-10(12)14-9/h5,7H,2-4,6H2,1H3,(H2,12,13,14)/t7-/m1/s1.
What are the key properties of 4-chloro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-amine?
4-chloro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-amine has a molecular weight of 226.71 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 31537614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).