6-chloro-2-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one

C12H16ClN3O2 — CID 114581847

IUPAC6-chloro-2-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1C(C)C(=O)N1CCCC1
InChIInChI=1S/C12H16ClN3O2/c1-8(12(18)15-5-3-4-6-15)16-9(2)14-10(13)7-11(16)17/h7-8H,3-6H2,1-2H3
InChIKeyYYQXHEMBZNGHCA-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.39
Rot. Bonds2

About 6-chloro-2-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one

6-chloro-2-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one (PubChem CID 114581847) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
PubChem CID114581847
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name6-chloro-2-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1C(C)C(=O)N1CCCC1
InChIInChI=1S/C12H16ClN3O2/c1-8(12(18)15-5-3-4-6-15)16-9(2)14-10(13)7-11(16)17/h7-8H,3-6H2,1-2H3
InChIKeyYYQXHEMBZNGHCA-UHFFFAOYSA-N
XLogP1.39
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 115596719
6-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-one
CID 72903012
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 114581661
1-[1-(azepan-1-yl)-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one
CID 46284828
1-[4-(2,6-dichloro-3-methylpyridine-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 154847922
(2-chloro-6-propan-2-yl-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 113379656
2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 83279576
5-(dimethylamino)-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridazin-3-one
CID 97188792
3-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrole-2,5-dione
CID 113408640
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
1-[1-(azepan-1-yl)-1-oxopropan-2-yl]-6-oxopyridazine-3-carboxylic acid
CID 114696033
3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzoxazol-2-one
CID 42898184

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one (CID 114581847) is 6-chloro-2-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one is Cc1nc(Cl)cc(=O)n1C(C)C(=O)N1CCCC1.
What is the InChIKey of 6-chloro-2-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one?
The InChIKey is YYQXHEMBZNGHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-8(12(18)15-5-3-4-6-15)16-9(2)14-10(13)7-11(16)17/h7-8H,3-6H2,1-2H3.
What are the key properties of 6-chloro-2-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one?
6-chloro-2-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one has a molecular weight of 269.73 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one is sourced from PubChem (CID 114581847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).