N-(2-methoxy-1-methyl-6-oxopyrimidin-4-yl)formamide

C7H9N3O3 — CID 54612984

IUPACN-(2-methoxy-1-methyl-6-oxopyrimidin-4-yl)formamide
SMILESCOc1nc(NC=O)cc(=O)n1C
InChIInChI=1S/C7H9N3O3/c1-10-6(12)3-5(8-4-11)9-7(10)13-2/h3-4H,1-2H3,(H,8,11)
InChIKeyMNKQTKVDCMNCJC-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.64
Rot. Bonds3

About N-(2-methoxy-1-methyl-6-oxopyrimidin-4-yl)formamide

N-(2-methoxy-1-methyl-6-oxopyrimidin-4-yl)formamide (PubChem CID 54612984) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is N-(2-methoxy-1-methyl-6-oxopyrimidin-4-yl)formamide.

Molecular Properties

Compound NameN-(2-methoxy-1-methyl-6-oxopyrimidin-4-yl)formamide
PubChem CID54612984
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC NameN-(2-methoxy-1-methyl-6-oxopyrimidin-4-yl)formamide
SMILESCOc1nc(NC=O)cc(=O)n1C
InChIInChI=1S/C7H9N3O3/c1-10-6(12)3-5(8-4-11)9-7(10)13-2/h3-4H,1-2H3,(H,8,11)
InChIKeyMNKQTKVDCMNCJC-UHFFFAOYSA-N
XLogP-0.64
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-methoxy-1-methyl-6-oxopyrimidin-4-yl)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-methoxy-1-methyl-6-oxopyrimidin-4-yl)formamide?
The IUPAC name of N-(2-methoxy-1-methyl-6-oxopyrimidin-4-yl)formamide (CID 54612984) is N-(2-methoxy-1-methyl-6-oxopyrimidin-4-yl)formamide.
What is the SMILES notation for N-(2-methoxy-1-methyl-6-oxopyrimidin-4-yl)formamide?
The canonical SMILES for N-(2-methoxy-1-methyl-6-oxopyrimidin-4-yl)formamide is COc1nc(NC=O)cc(=O)n1C.
What is the InChIKey of N-(2-methoxy-1-methyl-6-oxopyrimidin-4-yl)formamide?
The InChIKey is MNKQTKVDCMNCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-10-6(12)3-5(8-4-11)9-7(10)13-2/h3-4H,1-2H3,(H,8,11).
What are the key properties of N-(2-methoxy-1-methyl-6-oxopyrimidin-4-yl)formamide?
N-(2-methoxy-1-methyl-6-oxopyrimidin-4-yl)formamide has a molecular weight of 183.17 g/mol, XLogP of -0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-1-methyl-6-oxopyrimidin-4-yl)formamide is sourced from PubChem (CID 54612984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).