1-(2-chloro-5-methylphenyl)-3-(2-chloropyrimidin-5-yl)urea;methane

C13H14Cl2N4O — CID 167695271

IUPAC1-(2-chloro-5-methylphenyl)-3-(2-chloropyrimidin-5-yl)urea;methane
SMILESC.Cc1ccc(Cl)c(NC(=O)Nc2cnc(Cl)nc2)c1
InChIInChI=1S/C12H10Cl2N4O.CH4/c1-7-2-3-9(13)10(4-7)18-12(19)17-8-5-15-11(14)16-6-8;/h2-6H,1H3,(H2,17,18,19);1H4
InChIKeyXODPHYIEIYSLEU-UHFFFAOYSA-N
MW313.19 g/mol
LogP4.37
Rot. Bonds2

About 1-(2-chloro-5-methylphenyl)-3-(2-chloropyrimidin-5-yl)urea;methane

1-(2-chloro-5-methylphenyl)-3-(2-chloropyrimidin-5-yl)urea;methane (PubChem CID 167695271) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is 1-(2-chloro-5-methylphenyl)-3-(2-chloropyrimidin-5-yl)urea;methane.

Molecular Properties

Compound Name1-(2-chloro-5-methylphenyl)-3-(2-chloropyrimidin-5-yl)urea;methane
PubChem CID167695271
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name1-(2-chloro-5-methylphenyl)-3-(2-chloropyrimidin-5-yl)urea;methane
SMILESC.Cc1ccc(Cl)c(NC(=O)Nc2cnc(Cl)nc2)c1
InChIInChI=1S/C12H10Cl2N4O.CH4/c1-7-2-3-9(13)10(4-7)18-12(19)17-8-5-15-11(14)16-6-8;/h2-6H,1H3,(H2,17,18,19);1H4
InChIKeyXODPHYIEIYSLEU-UHFFFAOYSA-N
XLogP4.37
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloro-5-methylphenyl)-3-(2-chloropyrimidin-5-yl)urea;methane 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

1-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea
CID 108886244
1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea
CID 164957826
1-[3-(1-aminoethyl)phenyl]-3-(2-chloro-5-methylphenyl)urea
CID 107630153
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
6-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-carboxamide
CID 103769566
2-bromo-N-(2-chloro-5-methylphenyl)acetamide
CID 82111012
1-(2-chloro-4-methylphenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea
CID 121112797
2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride
CID 119279638
1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689
1-(6-chloro-3-pyridinyl)-3-(4-methylphenyl)urea
CID 47433187
1-(2-chloro-5-methylphenyl)-3-[(3S)-piperidin-3-yl]urea
CID 128753184
N-(2-chloro-5-methylphenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
CID 88600155

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylphenyl)-3-(2-chloropyrimidin-5-yl)urea;methane?
The IUPAC name of 1-(2-chloro-5-methylphenyl)-3-(2-chloropyrimidin-5-yl)urea;methane (CID 167695271) is 1-(2-chloro-5-methylphenyl)-3-(2-chloropyrimidin-5-yl)urea;methane.
What is the SMILES notation for 1-(2-chloro-5-methylphenyl)-3-(2-chloropyrimidin-5-yl)urea;methane?
The canonical SMILES for 1-(2-chloro-5-methylphenyl)-3-(2-chloropyrimidin-5-yl)urea;methane is C.Cc1ccc(Cl)c(NC(=O)Nc2cnc(Cl)nc2)c1.
What is the InChIKey of 1-(2-chloro-5-methylphenyl)-3-(2-chloropyrimidin-5-yl)urea;methane?
The InChIKey is XODPHYIEIYSLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O.CH4/c1-7-2-3-9(13)10(4-7)18-12(19)17-8-5-15-11(14)16-6-8;/h2-6H,1H3,(H2,17,18,19);1H4.
What are the key properties of 1-(2-chloro-5-methylphenyl)-3-(2-chloropyrimidin-5-yl)urea;methane?
1-(2-chloro-5-methylphenyl)-3-(2-chloropyrimidin-5-yl)urea;methane has a molecular weight of 313.19 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylphenyl)-3-(2-chloropyrimidin-5-yl)urea;methane is sourced from PubChem (CID 167695271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).