Chemical ID: 6681021

CC(C(c1cnc2c(n1)c(=O)nc([nH]2)N)O)O
Chemical ID:
6681021
Name [?]:
2-amino-6-(1,2-dihydroxypropyl)-1H-pteridin-4-one
SMILES [?]:
CC(C(c1cnc2c(n1)c(=O)nc([nH]2)N)O)O
InChi [?]:
InChI=1/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,8,3,7,10,13,15,6,9,14,12,17,16,11/rA:17cCCCCCNCCNCONCNNOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;d12;s7s13;s13;s3;s2;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11N5O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:6.28741
Area:403.345
Solvation:-3.79623
Coulombic:-88.5923
Bond Count [?]
All:18
Single:13
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:237.216
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:-1.06
LogP (Chemaxon):-0.5

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Descriptor Annotations

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