[2-(2,5-Dichloro-pyrimidin-4-ylamino)-3-methyl-phenoxy]-acetonitrile

HCID 86633985
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Basic information

Standard SMILES
Cc1cccc(OCC#N)c1Nc1nc(Cl)ncc1Cl
InChIKey
WFHDMQRZRCWVBV-UHFFFAOYSA-N
Molecular formula
C13H10Cl2N4O
Average molar mass
309.15 g/mol

Names & identifiers

Preferred name
[2-(2,5-Dichloro-pyrimidin-4-ylamino)-3-methyl-phenoxy]-acetonitrile
IUPAC
2-[2-[(2,5-dichloropyrimidin-4-yl)amino]-3-methylphenoxy]acetonitrile

Names & synonyms

SCHEMBL2060843WFHDMQRZRCWVBV-UHFFFAOYSA-N[2-(2,5-Dichloro-pyrimidin-4-ylamino)-3-methyl-phenoxy]-acetonitrile

Database identifiers

PubChem CID
86633985

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
70.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
20

Related reactions

9 records
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Compound notes

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