Chemical ID: 4228488

Cn1c2c(nc1NCCO)n(c(=O)n(c2=O)C)C
Chemical ID:
4228488
Name [?]:
8-(2-hydroxyethylamino)-1,3,7-trimethyl-purine-2,6-dione
SMILES [?]:
Cn1c2c(nc1NCCO)n(c(=O)n(c2=O)C)C
InChi [?]:
InChI=1/C10H15N5O3/c1-13-6-7(12-9(13)11-4-5-16)14(2)10(18)15(3)8(6)17/h16H,4-5H2,1-3H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,18,17,8,9,3,4,15,6,12,7,5,2,11,14,10,16,13/rA:18nCNCCNCNCCONCONCOCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;s9;s4;s11;d12;s12;s3s14;d15;s14;s11;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H15N5O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.17255
Area:424.042
Solvation:-3.4285
Coulombic:-75.9593
Bond Count [?]
All:19
Single:15
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:253.258
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:-1.07
LogP (Chemaxon):0.45

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Descriptor Annotations

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