2-(3-acetylpiperidin-1-yl)-6-methylpyrimidine-4-carbonitrile

C13H16N4O — CID 107548775

IUPAC2-(3-acetylpiperidin-1-yl)-6-methylpyrimidine-4-carbonitrile
SMILESCC(=O)C1CCCN(c2nc(C)cc(C#N)n2)C1
InChIInChI=1S/C13H16N4O/c1-9-6-12(7-14)16-13(15-9)17-5-3-4-11(8-17)10(2)18/h6,11H,3-5,8H2,1-2H3
InChIKeyRPXDQJCAKWTSIT-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.46
Rot. Bonds2

About 2-(3-acetylpiperidin-1-yl)-6-methylpyrimidine-4-carbonitrile

2-(3-acetylpiperidin-1-yl)-6-methylpyrimidine-4-carbonitrile (PubChem CID 107548775) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(3-acetylpiperidin-1-yl)-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-acetylpiperidin-1-yl)-6-methylpyrimidine-4-carbonitrile
PubChem CID107548775
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-(3-acetylpiperidin-1-yl)-6-methylpyrimidine-4-carbonitrile
SMILESCC(=O)C1CCCN(c2nc(C)cc(C#N)n2)C1
InChIInChI=1S/C13H16N4O/c1-9-6-12(7-14)16-13(15-9)17-5-3-4-11(8-17)10(2)18/h6,11H,3-5,8H2,1-2H3
InChIKeyRPXDQJCAKWTSIT-UHFFFAOYSA-N
XLogP1.46
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyano-6-methyl-4-pyridinyl)piperidine-3-carboxylic acid
CID 122051050
2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 107552935
2-[1-(4-cyano-6-methylpyrimidin-2-yl)pyrrolidin-3-yl]acetic acid
CID 107543051
(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
1-(4,6-dimethylpyrimidin-2-yl)-N,N-dimethylpiperidine-3-carboxamide
CID 47473849
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846335
1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 112634329
(3R)-N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7436254
2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 110426690
4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclohexylpiperazine-1-carboxamide
CID 110404200
6-methyl-2-(2-methylmorpholin-4-yl)pyrimidine-4-carbonitrile
CID 107543287
6-methyl-2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 107552489

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylpiperidin-1-yl)-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(3-acetylpiperidin-1-yl)-6-methylpyrimidine-4-carbonitrile (CID 107548775) is 2-(3-acetylpiperidin-1-yl)-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(3-acetylpiperidin-1-yl)-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(3-acetylpiperidin-1-yl)-6-methylpyrimidine-4-carbonitrile is CC(=O)C1CCCN(c2nc(C)cc(C#N)n2)C1.
What is the InChIKey of 2-(3-acetylpiperidin-1-yl)-6-methylpyrimidine-4-carbonitrile?
The InChIKey is RPXDQJCAKWTSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-6-12(7-14)16-13(15-9)17-5-3-4-11(8-17)10(2)18/h6,11H,3-5,8H2,1-2H3.
What are the key properties of 2-(3-acetylpiperidin-1-yl)-6-methylpyrimidine-4-carbonitrile?
2-(3-acetylpiperidin-1-yl)-6-methylpyrimidine-4-carbonitrile has a molecular weight of 244.30 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylpiperidin-1-yl)-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107548775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).