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Chemical ID: 4517002
Chemical ID:
4517002
Name [?]:
2-amino-5-butyl-6-methyl-pyrimidin-4-ol
SMILES [?]:
CCCCc1c(nc(nc1O)N)C
InChi [?]:
InChI=1/C9H15N3O/c1-3-4-5-7-6(2)11-9(10)12-8(7)13/h3-5H2,1-2H3,(H3,10,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,13,2,3,4,6,5,10,8,12,7,9,11/rA:13nCCCCCCNCNCONC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s8;s6;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H15N3O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.22363 |
Area: | 363.644 |
Solvation: | -1.86748 |
Coulombic: | -44.73 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 181.235 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 2 |
XLogP: | 2.1 |
LogP (Chemaxon): | 2.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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