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Chemical ID: 4943932

Chemical ID:

4943932

Name [?]:

4-(2-hydroxyphenyl)-6-phenyl-pyrimidin-2-ol

SMILES [?]:

c1ccc(cc1)c2cc(nc(n2)O)c3ccccc3O

InChi [?]:

InChI=1/C16H12N2O2/c19-15-9-5-4-8-12(15)14-10-13(17-16(20)18-14)11-6-2-1-3-7-11/h1-10,19H,(H,17,18,20)

InChi Info:

AuxInfo=1/1/N:1,2,6,16,17,3,5,15,18,8,4,14,7,9,19,11,12,10,20,13/E:(2,3)(6,7)/rA:20nCCCCCCCCCNCNOCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s11;s9;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₂N₂O₂
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	7.75687
Area:	451.272
Solvation:	-3.52494
Coulombic:	-46.952

Bond Count [?]

All:	22
Single:	13
Double:	9
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	264.279
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	3.28
LogP (Chemaxon):	4.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value