1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-one

C9H10ClN3O — CID 1382128

IUPAC1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-one
SMILESCc1nc(Cl)cc(N2CCCC2=O)n1
InChIInChI=1S/C9H10ClN3O/c1-6-11-7(10)5-8(12-6)13-4-2-3-9(13)14/h5H,2-4H2,1H3
InChIKeyGJAAKBJZJNRQLX-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.57
Rot. Bonds1

About 1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-one

1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-one (PubChem CID 1382128) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-one
PubChem CID1382128
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-one
SMILESCc1nc(Cl)cc(N2CCCC2=O)n1
InChIInChI=1S/C9H10ClN3O/c1-6-11-7(10)5-8(12-6)13-4-2-3-9(13)14/h5H,2-4H2,1H3
InChIKeyGJAAKBJZJNRQLX-UHFFFAOYSA-N
XLogP1.57
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-2-methyl-6-pyrrolidin-1-yl-pyrimidine
CID 40787016
2-((2-Amino-6-chloropyrimidin-4-yl)amino)-1-(pyrrolidin-1-yl)ethan-1-one
CID 45806937
1-[[1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 15713198
1-{3-[(2-Amino-6-chloropyrimidin-4-yl)amino]propyl}pyrrolidin-2-one
CID 40011507
N-(4,6-dichloropyrimidin-2-yl)-N-prop-2-ynylacetamide
CID 72198721
N-(4,6-dichloropyrimidin-2-yl)-N-prop-2-enylacetamide
CID 135031474
3-[(2-Amino-6-chloropyrimidin-4-yl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 56805314
(3R)-3-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95623530
(3S)-3-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95623531
1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 105553679
1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidine-3-carboxamide
CID 105553747
3-[[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 106257555

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-one?
The IUPAC name of 1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-one (CID 1382128) is 1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-one is Cc1nc(Cl)cc(N2CCCC2=O)n1.
What is the InChIKey of 1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-one?
The InChIKey is GJAAKBJZJNRQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-6-11-7(10)5-8(12-6)13-4-2-3-9(13)14/h5H,2-4H2,1H3.
What are the key properties of 1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-one?
1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-one has a molecular weight of 211.65 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 1382128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).