Chemical ID: 6425980

CC(C)(C)c1cnc2c(=O)[nH]cnc2n1
Chemical ID:
6425980
Name [?]:
7-tert-butyl-3H-pteridin-4-one
SMILES [?]:
CC(C)(C)c1cnc2c(=O)[nH]cnc2n1
InChi [?]:
InChI=1/C10H12N4O/c1-10(2,3)6-4-11-7-8(14-6)12-5-13-9(7)15/h4-5H,1-3H3,(H,12,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,6,12,5,8,14,9,2,7,13,11,15,10/E:(1,2,3)/rA:15nCCCCCCNCCONCNCN/rB:s1;s2;s2;s2;s5;d6;s7;s8;d9;s9;s11;d12;d8s13;d5s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12N4O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.86998
Area:366.182
Solvation:-2.28457
Coulombic:-37.863
Bond Count [?]
All:16
Single:11
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:204.229
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.56
LogP (Chemaxon):0.91

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Descriptor Annotations

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