Chemical ID: 4105397

CC(C)(C)c1ccc(cc1)Oc2cc(nc(n2)N)O
Chemical ID:
4105397
Name [?]:
2-amino-6-(4-tert-butylphenoxy)-pyrimidin-4-ol
SMILES [?]:
CC(C)(C)c1ccc(cc1)Oc2cc(nc(n2)N)O
InChi [?]:
InChI=1/C14H17N3O2/c1-14(2,3)9-4-6-10(7-5-9)19-12-8-11(18)16-13(15)17-12/h4-8H,1-3H3,(H3,15,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,4,6,10,7,9,13,5,8,14,12,16,2,18,15,17,19,11/E:(1,2,3)(4,5)(6,7)/rA:19nCCCCCCCCCCOCCCNCNNO/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s14;d15;d12s16;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17N3O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.75571
Area:447.531
Solvation:-2.43257
Coulombic:-54.1413
Bond Count [?]
All:20
Single:14
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:259.304
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:3.99
LogP (Chemaxon):3.98

Name Annotations

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Descriptor Annotations

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