1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide

C10H11ClN4O2 — CID 168697064

IUPAC1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CC(C(N)=O)CC2=O)nc(Cl)n1
InChIInChI=1S/C10H11ClN4O2/c1-5-2-7(14-10(11)13-5)15-4-6(9(12)17)3-8(15)16/h2,6H,3-4H2,1H3,(H2,12,17)
InChIKeyAPRAJJBGDUMJOH-UHFFFAOYSA-N
MW254.68 g/mol
LogP0.28
Rot. Bonds2

About 1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide

1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168697064) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168697064
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CC(C(N)=O)CC2=O)nc(Cl)n1
InChIInChI=1S/C10H11ClN4O2/c1-5-2-7(14-10(11)13-5)15-4-6(9(12)17)3-8(15)16/h2,6H,3-4H2,1H3,(H2,12,17)
InChIKeyAPRAJJBGDUMJOH-UHFFFAOYSA-N
XLogP0.28
TPSA89.18 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 ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698527
4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one
CID 168688384
1-(2-chloro-6-methylpyrimidin-4-yl)-4-sulfanylpyrrolidin-2-one
CID 168709142
1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717979
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696114
1-(6-methylpyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697041
1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696971
S-[[1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667409
1-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696708
1-(3-amino-6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696888
1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697901
1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698237

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 168697064) is 1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(N2CC(C(N)=O)CC2=O)nc(Cl)n1.
What is the InChIKey of 1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is APRAJJBGDUMJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c1-5-2-7(14-10(11)13-5)15-4-6(9(12)17)3-8(15)16/h2,6H,3-4H2,1H3,(H2,12,17).
What are the key properties of 1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 254.68 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168697064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).