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

C13H12Cl2N4O — CID 19813685

IUPAC1-(2-chloro-6-methylphenyl)-1-(4-chloro-6-methylpyrimidin-2-yl)urea
SMILESCc1cc(Cl)nc(N(C(N)=O)c2c(C)cccc2Cl)n1
InChIInChI=1S/C13H12Cl2N4O/c1-7-4-3-5-9(14)11(7)19(12(16)20)13-17-8(2)6-10(15)18-13/h3-6H,1-2H3,(H2,16,20)
InChIKeyYZDZIMWJUWYXMC-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.62
Rot. Bonds2

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

1-(2-chloro-6-methylphenyl)-1-(4-chloro-6-methylpyrimidin-2-yl)urea (PubChem CID 19813685) has the molecular formula C13H12Cl2N4O and a molecular weight of 311.17 g/mol. Its IUPAC name is 1-(2-chloro-6-methylphenyl)-1-(4-chloro-6-methylpyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-(2-chloro-6-methylphenyl)-1-(4-chloro-6-methylpyrimidin-2-yl)urea
PubChem CID19813685
Molecular FormulaC13H12Cl2N4O
Molecular Weight311.17 g/mol
Exact Mass310.04
IUPAC Name1-(2-chloro-6-methylphenyl)-1-(4-chloro-6-methylpyrimidin-2-yl)urea
SMILESCc1cc(Cl)nc(N(C(N)=O)c2c(C)cccc2Cl)n1
InChIInChI=1S/C13H12Cl2N4O/c1-7-4-3-5-9(14)11(7)19(12(16)20)13-17-8(2)6-10(15)18-13/h3-6H,1-2H3,(H2,16,20)
InChIKeyYZDZIMWJUWYXMC-UHFFFAOYSA-N
XLogP3.62
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylphenyl)-1-(4-chloro-6-methylpyrimidin-2-yl)urea?
The IUPAC name of 1-(2-chloro-6-methylphenyl)-1-(4-chloro-6-methylpyrimidin-2-yl)urea (CID 19813685) is 1-(2-chloro-6-methylphenyl)-1-(4-chloro-6-methylpyrimidin-2-yl)urea.
What is the SMILES notation for 1-(2-chloro-6-methylphenyl)-1-(4-chloro-6-methylpyrimidin-2-yl)urea?
The canonical SMILES for 1-(2-chloro-6-methylphenyl)-1-(4-chloro-6-methylpyrimidin-2-yl)urea is Cc1cc(Cl)nc(N(C(N)=O)c2c(C)cccc2Cl)n1.
What is the InChIKey of 1-(2-chloro-6-methylphenyl)-1-(4-chloro-6-methylpyrimidin-2-yl)urea?
The InChIKey is YZDZIMWJUWYXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O/c1-7-4-3-5-9(14)11(7)19(12(16)20)13-17-8(2)6-10(15)18-13/h3-6H,1-2H3,(H2,16,20).
What are the key properties of 1-(2-chloro-6-methylphenyl)-1-(4-chloro-6-methylpyrimidin-2-yl)urea?
1-(2-chloro-6-methylphenyl)-1-(4-chloro-6-methylpyrimidin-2-yl)urea has a molecular weight of 311.17 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylphenyl)-1-(4-chloro-6-methylpyrimidin-2-yl)urea is sourced from PubChem (CID 19813685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).