Chemical ID: 6685457

CC(C(C1=Nc2c([nH]c(nc2=O)N)NC1)O)O
Chemical ID:
6685457
Name [?]:
2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-1H-pteridin-4-one
SMILES [?]:
CC(C(C1=Nc2c([nH]c(nc2=O)N)NC1)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:1,15,2,4,6,3,7,11,9,13,14,5,8,10,17,16,12/rA:17cCCCCNCCNCNCONNCOO/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s6s10;d11;s9;s7;s4s14;s3;s2;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13N5O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:5.35792
Area:393.954
Solvation:-4.49093
Coulombic:-93.7745
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:-1.78
LogP (Chemaxon):-0.18

Name Annotations

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Descriptor Annotations

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