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Chemical ID: 4700940
Chemical ID:
4700940
Name [?]:
6-methyl-2-(3-pyridyl)pyrimidin-4-ol
SMILES [?]:
Cc1cc(nc(n1)c2cccnc2)O
InChi [?]:
InChI=1/C10H9N3O/c1-7-5-9(14)13-10(12-7)8-3-2-4-11-6-8/h2-6H,1H3,(H,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,10,9,11,3,13,2,8,4,6,12,7,5,14/rA:14nCCCCNCNCCCCNCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;d8s12;s4;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9N3O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.42562 |
Area: | 355.994 |
Solvation: | -2.47422 |
Coulombic: | -31.6953 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 187.198 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.14 |
LogP (Chemaxon): | 1.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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