3-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one

C16H18N4O — CID 133497431

IUPAC3-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one
SMILESCc1cc(N2CCC(=O)C(C)C2)nc(-c2cccnc2)n1
InChIInChI=1S/C16H18N4O/c1-11-10-20(7-5-14(11)21)15-8-12(2)18-16(19-15)13-4-3-6-17-9-13/h3-4,6,8-9,11H,5,7,10H2,1-2H3
InChIKeyZRCCLHPOJZJSRL-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.26
Rot. Bonds2

About 3-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one

3-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one (PubChem CID 133497431) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one.

Molecular Properties

Compound Name3-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one
PubChem CID133497431
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name3-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one
SMILESCc1cc(N2CCC(=O)C(C)C2)nc(-c2cccnc2)n1
InChIInChI=1S/C16H18N4O/c1-11-10-20(7-5-14(11)21)15-8-12(2)18-16(19-15)13-4-3-6-17-9-13/h3-4,6,8-9,11H,5,7,10H2,1-2H3
InChIKeyZRCCLHPOJZJSRL-UHFFFAOYSA-N
XLogP2.26
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767522
4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine
CID 154842652
8-bromo-2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 133309018
2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 56768554
(3S,4S)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-4-phenylpiperidine-3,4-diol
CID 162630664
cis-(1R,2S)-2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]cyclopentan-1-ol
CID 97185427
4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-2-thiophen-2-ylmorpholine
CID 133363568
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol
CID 167789936
4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 133279604
4-[4-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine;formic acid
CID 155940183
4-(4-but-3-ynylpiperazin-1-yl)-6-methyl-2-pyridin-3-ylpyrimidine
CID 133276430

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one?
The IUPAC name of 3-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one (CID 133497431) is 3-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one.
What is the SMILES notation for 3-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one?
The canonical SMILES for 3-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one is Cc1cc(N2CCC(=O)C(C)C2)nc(-c2cccnc2)n1.
What is the InChIKey of 3-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one?
The InChIKey is ZRCCLHPOJZJSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-10-20(7-5-14(11)21)15-8-12(2)18-16(19-15)13-4-3-6-17-9-13/h3-4,6,8-9,11H,5,7,10H2,1-2H3.
What are the key properties of 3-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one?
3-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one has a molecular weight of 282.35 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one is sourced from PubChem (CID 133497431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).