Chemical ID: 6913953

CC(C(C1=Nc2c(=O)[nH]c(nc2NC1)N)O)O
Chemical ID:
6913953
Name [?]:
2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-3H-pteridin-4-one
SMILES [?]:
CC(C(C1=Nc2c(=O)[nH]c(nc2NC1)N)O)O
InChi [?]:
InChI=1/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)
InChi Info:
AuxInfo=1/1/N:1,14,2,4,6,3,12,7,10,15,13,5,11,9,17,16,8/rA:17cCCCCNCCONCNCNCNOO/rB:s1;s2;s3;d4;s5;s6;d7;s7;s9;d10;d6s11;s12;s4s13;s10;s3;s2;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13N5O3
All Atoms:30
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:5.89463
Area:396.665
Solvation:-4.022
Coulombic:-93.8777
Bond Count [?]
All:18
Single:14
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:239.231
H-Bond Donors:5
H-Bond Acceptors:6
XLogP:-2.74
LogP (Chemaxon):-0.2

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Descriptor Annotations

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