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Chemical ID: 5193916

Chemical ID:

5193916

Name [?]:

6-(2-naphthylamino)pyrimidine-2,4-diol

SMILES [?]:

c1ccc2cc(ccc2c1)Nc3cc(nc(n3)O)O

InChi [?]:

InChI=1/C14H11N3O2/c18-13-8-12(16-14(19)17-13)15-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H3,15,16,17,18,19)

InChi Info:

AuxInfo=1/1/N:1,2,10,3,8,7,5,13,9,4,6,12,14,16,11,17,15,19,18/rA:19nCCCCCCCCCCNCCCNCNOO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;s12;d13;s14;d15;d12s16;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₁N₃O₂
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	7.48112
Area:	428.874
Solvation:	-3.24072
Coulombic:	-57.5085

Bond Count [?]

All:	21
Single:	13
Double:	8
Rotors:	2
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	253.256
H-Bond Donors:	3
H-Bond Acceptors:	3
XLogP:	3.58
LogP (Chemaxon):	3.68

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