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Chemical ID: 4960894

Chemical ID:

4960894

Name [?]:

6-phenyl-2-(1-piperidyl)pyrimidin-4-ol

SMILES [?]:

c1ccc(cc1)c2cc(nc(n2)N3CCCCC3)O

InChi [?]:

InChI=1/C15H17N3O/c19-14-11-13(12-7-3-1-4-8-12)16-15(17-14)18-9-5-2-6-10-18/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,16,17,19)

InChi Info:

AuxInfo=1/1/N:1,16,2,6,15,17,3,5,14,18,8,4,7,9,11,12,10,13,19/E:(3,4)(5,6)(7,8)(9,10)/rA:19nCCCCCCCCCNCNNCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s11;s13;s14;s15;s16;s13s17;s9;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₇N₃O
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	8.68931
Area:	444.125
Solvation:	-2.41381
Coulombic:	-36.9608

Bond Count [?]

All:	21
Single:	15
Double:	6
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	255.315
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.88
LogP (Chemaxon):	4.08

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