1-(4-chloro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea

C13H13ClN4O — CID 122507242

IUPAC1-(4-chloro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2nc(C)cc(Cl)n2)cc1
InChIInChI=1S/C13H13ClN4O/c1-8-3-5-10(6-4-8)16-13(19)18-12-15-9(2)7-11(14)17-12/h3-7H,1-2H3,(H2,15,16,17,18,19)
InChIKeyNPAKJLIDBINMMX-UHFFFAOYSA-N
MW276.73 g/mol
LogP3.39
Rot. Bonds2

About 1-(4-chloro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea

1-(4-chloro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea (PubChem CID 122507242) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 1-(4-chloro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-chloro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea
PubChem CID122507242
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name1-(4-chloro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2nc(C)cc(Cl)n2)cc1
InChIInChI=1S/C13H13ClN4O/c1-8-3-5-10(6-4-8)16-13(19)18-12-15-9(2)7-11(14)17-12/h3-7H,1-2H3,(H2,15,16,17,18,19)
InChIKeyNPAKJLIDBINMMX-UHFFFAOYSA-N
XLogP3.39
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-3-(4-chloro-6-methylpyrimidin-2-yl)urea
CID 122507249
1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3,4-dichlorophenyl)urea;1-(3,4-dichlorophenyl)-3-[4-methyl-6-(pyridin-4-ylamino)pyrimidin-2-yl]urea
CID 161285929
1-(4-chloro-6-methylpyrimidin-2-yl)-3-isoquinolin-3-ylurea
CID 134284665
1-(6-chloro-3-pyridinyl)-3-(4-methylphenyl)urea
CID 47433187
1-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]-3-phenylurea
CID 18566756
1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3-methylphenyl)urea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-(3-methylphenyl)urea
CID 158693336
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
N-(4-chlorophenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327842
6-methyl-N-(4-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109335147
2-(4-bromoanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335162
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluoro-6-methylpyrimidin-2-yl)urea
CID 135312538
2-(5-chloro-2-methylanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335156

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(4-chloro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea (CID 122507242) is 1-(4-chloro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(4-chloro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(4-chloro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2nc(C)cc(Cl)n2)cc1.
What is the InChIKey of 1-(4-chloro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea?
The InChIKey is NPAKJLIDBINMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-8-3-5-10(6-4-8)16-13(19)18-12-15-9(2)7-11(14)17-12/h3-7H,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 1-(4-chloro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea?
1-(4-chloro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea has a molecular weight of 276.73 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 122507242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).