1-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]ethanone

C12H17N3O — CID 116895403

IUPAC1-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]ethanone
SMILESCC(=O)c1nc(C)cc(C2CCN(C)C2)n1
InChIInChI=1S/C12H17N3O/c1-8-6-11(10-4-5-15(3)7-10)14-12(13-8)9(2)16/h6,10H,4-5,7H2,1-3H3
InChIKeyKUQKKPKERRQXGJ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.41
Rot. Bonds2

About 1-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]ethanone

1-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]ethanone (PubChem CID 116895403) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]ethanone
PubChem CID116895403
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]ethanone
SMILESCC(=O)c1nc(C)cc(C2CCN(C)C2)n1
InChIInChI=1S/C12H17N3O/c1-8-6-11(10-4-5-15(3)7-10)14-12(13-8)9(2)16/h6,10H,4-5,7H2,1-3H3
InChIKeyKUQKKPKERRQXGJ-UHFFFAOYSA-N
XLogP1.41
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine-2-carboxylic acid
CID 116894072
N,4-dimethyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 116894677
2-(methylamino)-2-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]acetic acid
CID 116896647
N-[[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]methyl]propan-2-amine
CID 116893231
2-methoxy-4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine
CID 116896890
3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanoic acid
CID 116894130
[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanamine
CID 116892379
[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanethiol
CID 116894539
2-methyl-6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 116821747
5-methyl-3-(1-methylpyrrolidin-3-yl)-1H-pyrazole
CID 116856668
N,N,2-trimethyl-6-[(3R)-1-methylpiperidin-3-yl]pyridin-4-amine
CID 125000369
4-methyl-6-(1-methylpiperidin-3-yl)-2-(piperidin-1-ylmethyl)pyrimidine
CID 172524149

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]ethanone?
The IUPAC name of 1-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]ethanone (CID 116895403) is 1-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]ethanone?
The canonical SMILES for 1-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]ethanone is CC(=O)c1nc(C)cc(C2CCN(C)C2)n1.
What is the InChIKey of 1-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]ethanone?
The InChIKey is KUQKKPKERRQXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-6-11(10-4-5-15(3)7-10)14-12(13-8)9(2)16/h6,10H,4-5,7H2,1-3H3.
What are the key properties of 1-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]ethanone?
1-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]ethanone has a molecular weight of 219.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]ethanone is sourced from PubChem (CID 116895403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).