5-(3,4-dichlorophenyl)-6-[(E)-3-phenylprop-1-enyl]pyrimidine-2,4-diamine

Formula:C19H16N4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 5-(3,4-dichlorophenyl)-6-[(E)-3-phenylprop-1-enyl]pyrimidine-2,4-diamine is a drug-like molecule.

MolName	5-(3,4-dichlorophenyl)-6-[(E)-3-phenylprop-1-enyl]pyrimidine-2,4-diamine
MolecularFormula	C19H16N4Cl2
Smiles	Nc(nc(N)nc1/C=C/Cc2ccccc2)c1-c(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C19H16Cl2N4/c20-14-10-9-13(11-15(14)21)17-16(24-19(23)25-18(17)22)8-4-7-12-5-2-1-3-6-12/h1-6,8-11H,7H2,(H4,22,23,24,25)
InChIK	WHXPNOOZKDOQEX-UHFFFAOYSA-N
TotalMolweight	371.27
Molweight	371.27
MonoisotopicMass	370.0752
CLogP	4.9204
CLogS	-7.185
H Acceptors	4
H Donors	2
TotalSurfaceArea	278.44
Relative PSA	0.18848
PolarSurfaceArea	77.82
Druglikeness	-2.8061
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon

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