2-N,4-N-dibenzyl-5-nitro-6-[(E)-2-phenylethenyl]pyrimidine-2,4-diamine

Formula:C26H23N5O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-N,4-N-dibenzyl-5-nitro-6-[(E)-2-phenylethenyl]pyrimidine-2,4-diamine is a drug-like molecule.

MolName	2-N,4-N-dibenzyl-5-nitro-6-[(E)-2-phenylethenyl]pyrimidine-2,4-diamine
MolecularFormula	C26H23N5O2
Smiles	[O-][N+](c1c(NCc2ccccc2)nc(NCc2ccccc2)nc1/C=C/c1ccccc1)=O
InChI	InChI=1S/C26H23N5O2/c32-31(33)24-23(17-16-20-10-4-1-5-11-20)29-26(28-19-22-14-8-3-9-15-22)30-25(24)27-18-21-12-6-2-7-13-21/h1-17H,18-19H2,(H2,27,28,29,30)
InChIK	OSBAQMKOJGYKQS-UHFFFAOYSA-N
TotalMolweight	437.502
Molweight	437.502
MonoisotopicMass	437.185175
CLogP	4.2869
CLogS	-6.794
H Acceptors	7
H Donors	2
TotalSurfaceArea	350.67
Relative PSA	0.21467
PolarSurfaceArea	95.66
Druglikeness	-5.2428
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	3
Symmetricatoms	6
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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