1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-propylpyrrolidin-2-one

C13H18ClN3O — CID 104511618

IUPAC1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2nc(C)cc(Cl)n2)C1
InChIInChI=1S/C13H18ClN3O/c1-3-4-10-6-13(18)17(7-10)8-12-15-9(2)5-11(14)16-12/h5,10H,3-4,6-8H2,1-2H3
InChIKeyMXZOJZWSENDAMI-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.59
Rot. Bonds4

About 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-propylpyrrolidin-2-one

1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-propylpyrrolidin-2-one (PubChem CID 104511618) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-propylpyrrolidin-2-one
PubChem CID104511618
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2nc(C)cc(Cl)n2)C1
InChIInChI=1S/C13H18ClN3O/c1-3-4-10-6-13(18)17(7-10)8-12-15-9(2)5-11(14)16-12/h5,10H,3-4,6-8H2,1-2H3
InChIKeyMXZOJZWSENDAMI-UHFFFAOYSA-N
XLogP2.59
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclopentyl(4-(4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl)piperazin-1-yl)methanone
CID 18566523
1-[4-Chloro-6-(trifluoromethyl)pyrimidin-2-yl]-4-ethenylpyrrolidin-2-one
CID 168686598
1-[[1-(2-Chloro-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
CID 14554103
1-[[1-(4-Chloro-6-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
CID 14554104
4-(2,6-Dichloropyrimidin-4-yl)-1-methylpiperidin-2-one
CID 117685279
2-(4-Chloro-6-methylpyrimidin-2-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 150051424
1-(6-Chloro-2-methylpyrimidin-4-yl)-4-(2-methylpropyl)pyrrolidin-2-one
CID 169774435
1-Methyl-4-[2-(4-methylpyrimidin-2-yl)ethyl]pyrrolidin-2-one
CID 178845679
N-[(4-Chloro-6-methylpyrimidin-2-yl)methyl]-2-methylpropanamide
CID 13114244
Cyclopentyl-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 45808707
Cyclopentyl(4-(6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 56700180
Cyclopentyl-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 60343800

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-propylpyrrolidin-2-one (CID 104511618) is 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(Cc2nc(C)cc(Cl)n2)C1.
What is the InChIKey of 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-propylpyrrolidin-2-one?
The InChIKey is MXZOJZWSENDAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-3-4-10-6-13(18)17(7-10)8-12-15-9(2)5-11(14)16-12/h5,10H,3-4,6-8H2,1-2H3.
What are the key properties of 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-propylpyrrolidin-2-one?
1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-propylpyrrolidin-2-one has a molecular weight of 267.76 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 104511618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).