(6-chloro-2-methylpyrimidin-4-yl)-[(2R)-2-methylpiperidin-1-yl]methanone

C12H16ClN3O — CID 97458045

IUPAC(6-chloro-2-methylpyrimidin-4-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCc1nc(Cl)cc(C(=O)N2CCCC[C@H]2C)n1
InChIInChI=1S/C12H16ClN3O/c1-8-5-3-4-6-16(8)12(17)10-7-11(13)15-9(2)14-10/h7-8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyOJQXOVGINXKDJX-MRVPVSSYSA-N
MW253.73 g/mol
LogP2.45
Rot. Bonds1

About (6-chloro-2-methylpyrimidin-4-yl)-[(2R)-2-methylpiperidin-1-yl]methanone

(6-chloro-2-methylpyrimidin-4-yl)-[(2R)-2-methylpiperidin-1-yl]methanone (PubChem CID 97458045) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is (6-chloro-2-methylpyrimidin-4-yl)-[(2R)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-2-methylpyrimidin-4-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
PubChem CID97458045
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name(6-chloro-2-methylpyrimidin-4-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCc1nc(Cl)cc(C(=O)N2CCCC[C@H]2C)n1
InChIInChI=1S/C12H16ClN3O/c1-8-5-3-4-6-16(8)12(17)10-7-11(13)15-9(2)14-10/h7-8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyOJQXOVGINXKDJX-MRVPVSSYSA-N
XLogP2.45
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 22427517
(6-chloro-2-methyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 24885199
3-(2-methylazepane-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107369689
[(2S)-2-methylpiperidin-1-yl]-(3,4,5-trichlorophenyl)methanone
CID 94861975
(2-chloro-6-propyl-4-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 113379665
[3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 94071084
[(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 92719861
(2,6-dimethyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 128939743
(6-fluoro-2-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 115497894
1-(2,6-dimethylpyrimidine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112968
(3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103734678
(2-methylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158156

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methylpyrimidin-4-yl)-[(2R)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of (6-chloro-2-methylpyrimidin-4-yl)-[(2R)-2-methylpiperidin-1-yl]methanone (CID 97458045) is (6-chloro-2-methylpyrimidin-4-yl)-[(2R)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (6-chloro-2-methylpyrimidin-4-yl)-[(2R)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for (6-chloro-2-methylpyrimidin-4-yl)-[(2R)-2-methylpiperidin-1-yl]methanone is Cc1nc(Cl)cc(C(=O)N2CCCC[C@H]2C)n1.
What is the InChIKey of (6-chloro-2-methylpyrimidin-4-yl)-[(2R)-2-methylpiperidin-1-yl]methanone?
The InChIKey is OJQXOVGINXKDJX-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-8-5-3-4-6-16(8)12(17)10-7-11(13)15-9(2)14-10/h7-8H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of (6-chloro-2-methylpyrimidin-4-yl)-[(2R)-2-methylpiperidin-1-yl]methanone?
(6-chloro-2-methylpyrimidin-4-yl)-[(2R)-2-methylpiperidin-1-yl]methanone has a molecular weight of 253.73 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methylpyrimidin-4-yl)-[(2R)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 97458045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).