1-methylpyrimidin-4-imine

C5H7N3 — CID 23422085

IUPAC1-methylpyrimidin-4-imine
SMILES[H]/N=c1/ccn(C)cn1
InChIInChI=1S/C5H7N3/c1-8-3-2-5(6)7-4-8/h2-4,6H,1H3/b6-5-
InChIKeyXWNRDCPFRULYMM-WAYWQWQTSA-N
MW109.13 g/mol
LogP-0.10
Rot. Bonds

About 1-methylpyrimidin-4-imine

1-methylpyrimidin-4-imine (PubChem CID 23422085) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 1-methylpyrimidin-4-imine.

Molecular Properties

Compound Name1-methylpyrimidin-4-imine
PubChem CID23422085
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name1-methylpyrimidin-4-imine
SMILES[H]/N=c1/ccn(C)cn1
InChIInChI=1S/C5H7N3/c1-8-3-2-5(6)7-4-8/h2-4,6H,1H3/b6-5-
InChIKeyXWNRDCPFRULYMM-WAYWQWQTSA-N
XLogP-0.10
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methylpyrimidin-4-imine 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 1-methylpyrimidin-4-imine?
The IUPAC name of 1-methylpyrimidin-4-imine (CID 23422085) is 1-methylpyrimidin-4-imine.
What is the SMILES notation for 1-methylpyrimidin-4-imine?
The canonical SMILES for 1-methylpyrimidin-4-imine is [H]/N=c1/ccn(C)cn1.
What is the InChIKey of 1-methylpyrimidin-4-imine?
The InChIKey is XWNRDCPFRULYMM-WAYWQWQTSA-N. The full InChI is InChI=1S/C5H7N3/c1-8-3-2-5(6)7-4-8/h2-4,6H,1H3/b6-5-.
What are the key properties of 1-methylpyrimidin-4-imine?
1-methylpyrimidin-4-imine has a molecular weight of 109.13 g/mol, XLogP of -0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrimidin-4-imine is sourced from PubChem (CID 23422085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).