1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide

C10H12N4O3 — CID 168696114

IUPAC1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(N2CC(C(N)=O)CC2=O)cc(=O)[nH]1
InChIInChI=1S/C10H12N4O3/c1-5-12-7(3-8(15)13-5)14-4-6(10(11)17)2-9(14)16/h3,6H,2,4H2,1H3,(H2,11,17)(H,12,13,15)
InChIKeyRZOPMEVXRPLPKC-UHFFFAOYSA-N
MW236.23 g/mol
LogP-1.08
Rot. Bonds2

About 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide

1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168696114) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168696114
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(N2CC(C(N)=O)CC2=O)cc(=O)[nH]1
InChIInChI=1S/C10H12N4O3/c1-5-12-7(3-8(15)13-5)14-4-6(10(11)17)2-9(14)16/h3,6H,2,4H2,1H3,(H2,11,17)(H,12,13,15)
InChIKeyRZOPMEVXRPLPKC-UHFFFAOYSA-N
XLogP-1.08
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697064
1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696971
4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 168507027
1-(2,6-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698527
1-(6-methylpyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697041
methyl 1-(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693573
1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698237
1-(3-amino-6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696888
1-(2-amino-5-bromo-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696869
5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxamide
CID 168698605
1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696816
5-bromo-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 168698074

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 168696114) is 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide is Cc1nc(N2CC(C(N)=O)CC2=O)cc(=O)[nH]1.
What is the InChIKey of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RZOPMEVXRPLPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-5-12-7(3-8(15)13-5)14-4-6(10(11)17)2-9(14)16/h3,6H,2,4H2,1H3,(H2,11,17)(H,12,13,15).
What are the key properties of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 236.23 g/mol, XLogP of -1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168696114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).