1-methyl-2-oxopyrimidine-4-carboxamide

C6H7N3O2 — CID 69003066

IUPAC1-methyl-2-oxopyrimidine-4-carboxamide
SMILESCn1ccc(C(N)=O)nc1=O
InChIInChI=1S/C6H7N3O2/c1-9-3-2-4(5(7)10)8-6(9)11/h2-3H,1H3,(H2,7,10)
InChIKeyQKUAORQGXTWVCQ-UHFFFAOYSA-N
MW153.14 g/mol
LogP-1.12
Rot. Bonds1

About 1-methyl-2-oxopyrimidine-4-carboxamide

1-methyl-2-oxopyrimidine-4-carboxamide (PubChem CID 69003066) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 1-methyl-2-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxopyrimidine-4-carboxamide
PubChem CID69003066
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name1-methyl-2-oxopyrimidine-4-carboxamide
SMILESCn1ccc(C(N)=O)nc1=O
InChIInChI=1S/C6H7N3O2/c1-9-3-2-4(5(7)10)8-6(9)11/h2-3H,1H3,(H2,7,10)
InChIKeyQKUAORQGXTWVCQ-UHFFFAOYSA-N
XLogP-1.12
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxopyrimidine-4-carboxamide?
The IUPAC name of 1-methyl-2-oxopyrimidine-4-carboxamide (CID 69003066) is 1-methyl-2-oxopyrimidine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxopyrimidine-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxopyrimidine-4-carboxamide is Cn1ccc(C(N)=O)nc1=O.
What is the InChIKey of 1-methyl-2-oxopyrimidine-4-carboxamide?
The InChIKey is QKUAORQGXTWVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-9-3-2-4(5(7)10)8-6(9)11/h2-3H,1H3,(H2,7,10).
What are the key properties of 1-methyl-2-oxopyrimidine-4-carboxamide?
1-methyl-2-oxopyrimidine-4-carboxamide has a molecular weight of 153.14 g/mol, XLogP of -1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 69003066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).