N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-1-carboxamide

C9H9N5O2 — CID 135733650

IUPACN-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-1-carboxamide
SMILESCc1cc(=O)[nH]c(NC(=O)n2ccnc2)n1
InChIInChI=1S/C9H9N5O2/c1-6-4-7(15)12-8(11-6)13-9(16)14-3-2-10-5-14/h2-5H,1H3,(H2,11,12,13,15,16)
InChIKeyKRXQPLNNIVKFHM-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.36
Rot. Bonds1

About N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-1-carboxamide

N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-1-carboxamide (PubChem CID 135733650) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-1-carboxamide
PubChem CID135733650
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC NameN-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-1-carboxamide
SMILESCc1cc(=O)[nH]c(NC(=O)n2ccnc2)n1
InChIInChI=1S/C9H9N5O2/c1-6-4-7(15)12-8(11-6)13-9(16)14-3-2-10-5-14/h2-5H,1H3,(H2,11,12,13,15,16)
InChIKeyKRXQPLNNIVKFHM-UHFFFAOYSA-N
XLogP0.36
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-1-carboxamide?
The IUPAC name of N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-1-carboxamide (CID 135733650) is N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-1-carboxamide.
What is the SMILES notation for N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-1-carboxamide?
The canonical SMILES for N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-1-carboxamide is Cc1cc(=O)[nH]c(NC(=O)n2ccnc2)n1.
What is the InChIKey of N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-1-carboxamide?
The InChIKey is KRXQPLNNIVKFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c1-6-4-7(15)12-8(11-6)13-9(16)14-3-2-10-5-14/h2-5H,1H3,(H2,11,12,13,15,16).
What are the key properties of N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-1-carboxamide?
N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-1-carboxamide has a molecular weight of 219.20 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-1-carboxamide is sourced from PubChem (CID 135733650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).