1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide

C11H16N4O2 — CID 152554812

IUPAC1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide
SMILESCN1CCCC1c1nc(C(N)=O)cc(=O)n1C
InChIInChI=1S/C11H16N4O2/c1-14-5-3-4-8(14)11-13-7(10(12)17)6-9(16)15(11)2/h6,8H,3-5H2,1-2H3,(H2,12,17)
InChIKeyYOGDLGBECJCHSL-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.35
Rot. Bonds2

About 1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide

1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 152554812) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide
PubChem CID152554812
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide
SMILESCN1CCCC1c1nc(C(N)=O)cc(=O)n1C
InChIInChI=1S/C11H16N4O2/c1-14-5-3-4-8(14)11-13-7(10(12)17)6-9(16)15(11)2/h6,8H,3-5H2,1-2H3,(H2,12,17)
InChIKeyYOGDLGBECJCHSL-UHFFFAOYSA-N
XLogP-0.35
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-6-methyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 58700481
4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxamide
CID 89156562
6-methyl-3-(phosphanylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 142093582
2-Cyclopropyl-6-oxo-1-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxamide
CID 165411645
2,6-Dimethyl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3,4-dihydropyrimidin-4-one
CID 7748969
6-methyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 21057241
3-(2-Aminopentyl)-2,6-dimethylpyrimidin-4-one
CID 63767940
2,6-Dimethyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one
CID 63768678
2,6-dimethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
CID 102819772
2,6-dimethyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
CID 102819773
4-methyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 136103117
2-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-1-yl]acetamide
CID 136232173

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide?
The IUPAC name of 1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide (CID 152554812) is 1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for 1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide is CN1CCCC1c1nc(C(N)=O)cc(=O)n1C.
What is the InChIKey of 1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide?
The InChIKey is YOGDLGBECJCHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-14-5-3-4-8(14)11-13-7(10(12)17)6-9(16)15(11)2/h6,8H,3-5H2,1-2H3,(H2,12,17).
What are the key properties of 1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide?
1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 236.27 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 152554812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).