1-(6-chloropyrimidin-4-yl)-3-(2,6-dichlorophenyl)urea

C11H7Cl3N4O — CID 117075041

IUPAC1-(6-chloropyrimidin-4-yl)-3-(2,6-dichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)ncn1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H7Cl3N4O/c12-6-2-1-3-7(13)10(6)18-11(19)17-9-4-8(14)15-5-16-9/h1-5H,(H2,15,16,17,18,19)
InChIKeyFYIJZCWQGLHLMW-UHFFFAOYSA-N
MW317.56 g/mol
LogP4.08
Rot. Bonds2

About 1-(6-chloropyrimidin-4-yl)-3-(2,6-dichlorophenyl)urea

1-(6-chloropyrimidin-4-yl)-3-(2,6-dichlorophenyl)urea (PubChem CID 117075041) has the molecular formula C11H7Cl3N4O and a molecular weight of 317.56 g/mol. Its IUPAC name is 1-(6-chloropyrimidin-4-yl)-3-(2,6-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(6-chloropyrimidin-4-yl)-3-(2,6-dichlorophenyl)urea
PubChem CID117075041
Molecular FormulaC11H7Cl3N4O
Molecular Weight317.56 g/mol
Exact Mass315.97
IUPAC Name1-(6-chloropyrimidin-4-yl)-3-(2,6-dichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)ncn1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H7Cl3N4O/c12-6-2-1-3-7(13)10(6)18-11(19)17-9-4-8(14)15-5-16-9/h1-5H,(H2,15,16,17,18,19)
InChIKeyFYIJZCWQGLHLMW-UHFFFAOYSA-N
XLogP4.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.56
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(6-chloropyrimidin-4-yl)-3-(2,6-dichlorophenyl)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-chloro-N-(6-chloropyrimidin-4-yl)-2-fluorobenzamide
CID 114050036
N-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine
CID 160592150
6-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine
CID 66255009
N-[3-[[6-(2,6-dichloroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866731
1-(2,6-dichlorophenyl)-3-methylurea
CID 3018146
N-(6-chloropyrimidin-4-yl)-2-phenylpropanamide
CID 114050017
1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813139
2-amino-N-(6-chloropyrimidin-4-yl)-5-hydroxybenzamide
CID 114049171
N-(2,6-dichlorophenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339596
6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine
CID 56605349
N-(6-chloropyrimidin-4-yl)-2-(3,4-difluorophenyl)acetamide
CID 114050076
N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide
CID 165133353

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyrimidin-4-yl)-3-(2,6-dichlorophenyl)urea?
The IUPAC name of 1-(6-chloropyrimidin-4-yl)-3-(2,6-dichlorophenyl)urea (CID 117075041) is 1-(6-chloropyrimidin-4-yl)-3-(2,6-dichlorophenyl)urea.
What is the SMILES notation for 1-(6-chloropyrimidin-4-yl)-3-(2,6-dichlorophenyl)urea?
The canonical SMILES for 1-(6-chloropyrimidin-4-yl)-3-(2,6-dichlorophenyl)urea is O=C(Nc1cc(Cl)ncn1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(6-chloropyrimidin-4-yl)-3-(2,6-dichlorophenyl)urea?
The InChIKey is FYIJZCWQGLHLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N4O/c12-6-2-1-3-7(13)10(6)18-11(19)17-9-4-8(14)15-5-16-9/h1-5H,(H2,15,16,17,18,19).
What are the key properties of 1-(6-chloropyrimidin-4-yl)-3-(2,6-dichlorophenyl)urea?
1-(6-chloropyrimidin-4-yl)-3-(2,6-dichlorophenyl)urea has a molecular weight of 317.56 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyrimidin-4-yl)-3-(2,6-dichlorophenyl)urea is sourced from PubChem (CID 117075041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).