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

C13H13ClN4O — CID 122507242

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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