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Chemical ID: 5191768
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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