1-[6-(3-Chloro-phenylamino)-pyrimidin-4-yl]-3-(2,6-dimethyl-phenyl)-urea

HCID 57710271
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Basic information

Standard SMILES
Cc1cccc(C)c1NC(=O)Nc1cc(Nc2cccc(Cl)c2)ncn1
InChIKey
NIFZPRNYJVJNBB-UHFFFAOYSA-N
Molecular formula
C19H18ClN5O
Average molar mass
367.8 g/mol
Monoisotopic mass
367.1199879

Names & identifiers

Preferred name
1-[6-(3-Chloro-phenylamino)-pyrimidin-4-yl]-3-(2,6-dimethyl-phenyl)-urea
IUPAC
1-[6-(3-chloroanilino)pyrimidin-4-yl]-3-(2,6-dimethylphenyl)urea

Names & synonyms

SCHEMBL378902NIFZPRNYJVJNBB-UHFFFAOYSA-N1-[6-(3-Chloro-phenylamino)-pyrimidin-4-yl]-3-(2,6-dimethyl-phenyl)-urea

Database identifiers

PubChem CID
57710271

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
78.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
26

Related reactions

2 records
New reaction record

Linked notes

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