1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea

C13H14N4O — CID 2819605

IUPAC1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea
SMILESCNC(=O)Nc1cccc(-c2ccnc(C)n2)c1
InChIInChI=1S/C13H14N4O/c1-9-15-7-6-12(16-9)10-4-3-5-11(8-10)17-13(18)14-2/h3-8H,1-2H3,(H2,14,17,18)
InChIKeyAEADJOBCASCCHA-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.20
Rot. Bonds2

About 1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea

1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea (PubChem CID 2819605) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea
PubChem CID2819605
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea
SMILESCNC(=O)Nc1cccc(-c2ccnc(C)n2)c1
InChIInChI=1S/C13H14N4O/c1-9-15-7-6-12(16-9)10-4-3-5-11(8-10)17-13(18)14-2/h3-8H,1-2H3,(H2,14,17,18)
InChIKeyAEADJOBCASCCHA-UHFFFAOYSA-N
XLogP2.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea 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-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea?
The IUPAC name of 1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea (CID 2819605) is 1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea.
What is the SMILES notation for 1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea?
The canonical SMILES for 1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea is CNC(=O)Nc1cccc(-c2ccnc(C)n2)c1.
What is the InChIKey of 1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea?
The InChIKey is AEADJOBCASCCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9-15-7-6-12(16-9)10-4-3-5-11(8-10)17-13(18)14-2/h3-8H,1-2H3,(H2,14,17,18).
What are the key properties of 1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea?
1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea has a molecular weight of 242.28 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea is sourced from PubChem (CID 2819605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).