N-(2-oxopropyl)pyrimidine-4-carboxamide

C8H9N3O2 — CID 89020208

IUPACN-(2-oxopropyl)pyrimidine-4-carboxamide
SMILESCC(=O)CNC(=O)c1ccncn1
InChIInChI=1S/C8H9N3O2/c1-6(12)4-10-8(13)7-2-3-9-5-11-7/h2-3,5H,4H2,1H3,(H,10,13)
InChIKeyYACQFCFSUARNBW-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.20
Rot. Bonds3

About N-(2-oxopropyl)pyrimidine-4-carboxamide

N-(2-oxopropyl)pyrimidine-4-carboxamide (PubChem CID 89020208) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is N-(2-oxopropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-oxopropyl)pyrimidine-4-carboxamide
PubChem CID89020208
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC NameN-(2-oxopropyl)pyrimidine-4-carboxamide
SMILESCC(=O)CNC(=O)c1ccncn1
InChIInChI=1S/C8H9N3O2/c1-6(12)4-10-8(13)7-2-3-9-5-11-7/h2-3,5H,4H2,1H3,(H,10,13)
InChIKeyYACQFCFSUARNBW-UHFFFAOYSA-N
XLogP-0.20
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxopropyl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-oxopropyl)pyrimidine-4-carboxamide (CID 89020208) is N-(2-oxopropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-oxopropyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-oxopropyl)pyrimidine-4-carboxamide is CC(=O)CNC(=O)c1ccncn1.
What is the InChIKey of N-(2-oxopropyl)pyrimidine-4-carboxamide?
The InChIKey is YACQFCFSUARNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-6(12)4-10-8(13)7-2-3-9-5-11-7/h2-3,5H,4H2,1H3,(H,10,13).
What are the key properties of N-(2-oxopropyl)pyrimidine-4-carboxamide?
N-(2-oxopropyl)pyrimidine-4-carboxamide has a molecular weight of 179.18 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 89020208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).