6-[(E)-2-phenylethenyl]pyrimidine-2,4,5-triamine

Formula:C12H13N5 Mutagenic:none Tumorigenic:none Reproductive Effective:low 6-[(E)-2-phenylethenyl]pyrimidine-2,4,5-triamine is a drug-like molecule.

MolName	6-[(E)-2-phenylethenyl]pyrimidine-2,4,5-triamine
MolecularFormula	C12H13N5
Smiles	Nc1c(N)nc(N)nc1/C=C/c1ccccc1
InChI	InChI=1S/C12H13N5/c13-10-9(16-12(15)17-11(10)14)7-6-8-4-2-1-3-5-8/h1-7H,13H2,(H4,14,15,16,17)
InChIK	IQUVMOWIZMLZIA-UHFFFAOYSA-N
TotalMolweight	227.27
Molweight	227.27
MonoisotopicMass	227.117095
CLogP	1.0464
CLogS	-3.796
H Acceptors	5
H Donors	3
TotalSurfaceArea	182.6
Relative PSA	0.37103
PolarSurfaceArea	103.84
Druglikeness	-1.4351
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	1,2-diamino-aryl
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon

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