N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide

C7H9N3O2 — CID 71758624

IUPACN-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide
SMILESCc1ncc(CNC=O)c(=O)[nH]1
InChIInChI=1S/C7H9N3O2/c1-5-9-3-6(2-8-4-11)7(12)10-5/h3-4H,2H2,1H3,(H,8,11)(H,9,10,12)
InChIKeyLWEWMCYGSORRCZ-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.68
Rot. Bonds3

About N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide

N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide (PubChem CID 71758624) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide
PubChem CID71758624
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC NameN-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide
SMILESCc1ncc(CNC=O)c(=O)[nH]1
InChIInChI=1S/C7H9N3O2/c1-5-9-3-6(2-8-4-11)7(12)10-5/h3-4H,2H2,1H3,(H,8,11)(H,9,10,12)
InChIKeyLWEWMCYGSORRCZ-UHFFFAOYSA-N
XLogP-0.68
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide 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-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide?
The IUPAC name of N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide (CID 71758624) is N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide.
What is the SMILES notation for N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide?
The canonical SMILES for N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide is Cc1ncc(CNC=O)c(=O)[nH]1.
What is the InChIKey of N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide?
The InChIKey is LWEWMCYGSORRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-5-9-3-6(2-8-4-11)7(12)10-5/h3-4H,2H2,1H3,(H,8,11)(H,9,10,12).
What are the key properties of N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide?
N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide has a molecular weight of 167.17 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]formamide is sourced from PubChem (CID 71758624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).