3-(6-methoxypyrimidin-4-yl)-1-methyl-1-[(2-methylphenyl)methyl]urea

C15H18N4O2 — CID 84601056

IUPAC3-(6-methoxypyrimidin-4-yl)-1-methyl-1-[(2-methylphenyl)methyl]urea
SMILESCOc1cc(NC(=O)N(C)Cc2ccccc2C)ncn1
InChIInChI=1S/C15H18N4O2/c1-11-6-4-5-7-12(11)9-19(2)15(20)18-13-8-14(21-3)17-10-16-13/h4-8,10H,9H2,1-3H3,(H,16,17,18,20)
InChIKeyLMPHSPGLGHCCBI-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.46
Rot. Bonds4

About 3-(6-methoxypyrimidin-4-yl)-1-methyl-1-[(2-methylphenyl)methyl]urea

3-(6-methoxypyrimidin-4-yl)-1-methyl-1-[(2-methylphenyl)methyl]urea (PubChem CID 84601056) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-(6-methoxypyrimidin-4-yl)-1-methyl-1-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name3-(6-methoxypyrimidin-4-yl)-1-methyl-1-[(2-methylphenyl)methyl]urea
PubChem CID84601056
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name3-(6-methoxypyrimidin-4-yl)-1-methyl-1-[(2-methylphenyl)methyl]urea
SMILESCOc1cc(NC(=O)N(C)Cc2ccccc2C)ncn1
InChIInChI=1S/C15H18N4O2/c1-11-6-4-5-7-12(11)9-19(2)15(20)18-13-8-14(21-3)17-10-16-13/h4-8,10H,9H2,1-3H3,(H,16,17,18,20)
InChIKeyLMPHSPGLGHCCBI-UHFFFAOYSA-N
XLogP2.46
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(6-methoxypyrimidin-4-yl)-1-methyl-1-[(2-methylphenyl)methyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 24528577
1,3-dimethyl-1-[(2-methylphenyl)methyl]urea
CID 23563161
3-(1-ethyl-1,2,4-triazol-3-yl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 46982263
N-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide
CID 86987874
3-(3,5-difluorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 86988105
3-(3-chloro-2-methoxyphenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 86837941
1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea
CID 78871918
phenyl N-(6-methoxypyrimidin-4-yl)carbamate
CID 66833981
6-methoxy-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 121167294
1-[(2,4-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea
CID 46577510
3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231590
N-methyl-N-[(2-methylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36621925

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxypyrimidin-4-yl)-1-methyl-1-[(2-methylphenyl)methyl]urea?
The IUPAC name of 3-(6-methoxypyrimidin-4-yl)-1-methyl-1-[(2-methylphenyl)methyl]urea (CID 84601056) is 3-(6-methoxypyrimidin-4-yl)-1-methyl-1-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 3-(6-methoxypyrimidin-4-yl)-1-methyl-1-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 3-(6-methoxypyrimidin-4-yl)-1-methyl-1-[(2-methylphenyl)methyl]urea is COc1cc(NC(=O)N(C)Cc2ccccc2C)ncn1.
What is the InChIKey of 3-(6-methoxypyrimidin-4-yl)-1-methyl-1-[(2-methylphenyl)methyl]urea?
The InChIKey is LMPHSPGLGHCCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-6-4-5-7-12(11)9-19(2)15(20)18-13-8-14(21-3)17-10-16-13/h4-8,10H,9H2,1-3H3,(H,16,17,18,20).
What are the key properties of 3-(6-methoxypyrimidin-4-yl)-1-methyl-1-[(2-methylphenyl)methyl]urea?
3-(6-methoxypyrimidin-4-yl)-1-methyl-1-[(2-methylphenyl)methyl]urea has a molecular weight of 286.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxypyrimidin-4-yl)-1-methyl-1-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 84601056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).