Chemical ID: 5191768

c1c(c(ncn1)N)CCC2OCCO2
Chemical ID:
5191768
Name [?]:
5-[2-(1,3-dioxolan-2-yl)ethyl]pyrimidin-4-amine
SMILES [?]:
c1c(c(ncn1)N)CCC2OCCO2
InChi [?]:
InChI=1/C9H13N3O2/c10-9-7(5-11-6-12-9)1-2-8-13-3-4-14-8/h5-6,8H,1-4H2,(H2,10,11,12)
InChi Info:
AuxInfo=1/1/N:8,9,12,13,1,5,2,10,3,7,6,4,11,14/E:(3,4)(13,14)/rA:14nCCCNCNNCCCOCCO/rB:s1;d2;s3;d4;d1s5;s3;s2;s8;s9;s10;s11;s12;s10s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13N3O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.32714
Area:367.225
Solvation:-3.85347
Coulombic:-41.8426
Bond Count [?]
All:15
Single:12
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:195.219
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:-0.36
LogP (Chemaxon):0.02

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Descriptor Annotations

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