5-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidine-4-carboxamide

C10H11ClN4O2 — CID 136512866

IUPAC5-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidine-4-carboxamide
SMILESCN1CCC(NC(=O)c2ncncc2Cl)C1=O
InChIInChI=1S/C10H11ClN4O2/c1-15-3-2-7(10(15)17)14-9(16)8-6(11)4-12-5-13-8/h4-5,7H,2-3H2,1H3,(H,14,16)
InChIKeyGDUHVGAJIXUKPF-UHFFFAOYSA-N
MW254.68 g/mol
LogP0.09
Rot. Bonds2

About 5-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidine-4-carboxamide

5-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidine-4-carboxamide (PubChem CID 136512866) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 5-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidine-4-carboxamide
PubChem CID136512866
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name5-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidine-4-carboxamide
SMILESCN1CCC(NC(=O)c2ncncc2Cl)C1=O
InChIInChI=1S/C10H11ClN4O2/c1-15-3-2-7(10(15)17)14-9(16)8-6(11)4-12-5-13-8/h4-5,7H,2-3H2,1H3,(H,14,16)
InChIKeyGDUHVGAJIXUKPF-UHFFFAOYSA-N
XLogP0.09
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(1,1-dioxothiolan-3-yl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 2980511
5-Chloro-2-(propan-2-yl)pyrimidine-4-carboxamide
CID 53613703
5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
CID 16437935
5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(ethylsulfanyl)pyrimidine-4-carboxamide
CID 16437463
5-chloro-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 47083749
5-chloro-N-cyclopropyl-2-(diethylamino)pyrimidine-4-carboxamide
CID 47430928
1,3,4,5,7,8,9,9a-Octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone
CID 49222285
(5-Chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopentylpiperazin-1-yl)methanone
CID 56821074
(5-Chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 56821165
(5-Chloropyrimidin-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 72104418
5-chloro-2-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrimidine-4-carboxamide
CID 72125906
5-chloro-2-(diethylamino)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrimidine-4-carboxamide
CID 72150035

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidine-4-carboxamide (CID 136512866) is 5-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidine-4-carboxamide is CN1CCC(NC(=O)c2ncncc2Cl)C1=O.
What is the InChIKey of 5-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidine-4-carboxamide?
The InChIKey is GDUHVGAJIXUKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c1-15-3-2-7(10(15)17)14-9(16)8-6(11)4-12-5-13-8/h4-5,7H,2-3H2,1H3,(H,14,16).
What are the key properties of 5-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidine-4-carboxamide?
5-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidine-4-carboxamide has a molecular weight of 254.68 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 136512866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).