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Chemical ID: 4774963
Chemical ID:
4774963
Name [?]:
5-(cyclopropylmethyl)-6-methyl-2-(3-pyridyl)pyrimidin-4-ol
SMILES [?]:
Cc1c(c(nc(n1)c2cccnc2)O)CC3CC3
InChi [?]:
InChI=1/C14H15N3O/c1-9-12(7-10-4-5-10)14(18)17-13(16-9)11-3-2-6-15-8-11/h2-3,6,8,10H,4-5,7H2,1H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,10,9,17,18,11,15,13,2,16,8,3,6,4,12,7,5,14/E:(4,5)/rA:18nCCCCNCNCCCCNCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;d8s12;s4;s3;s15;s16;s16s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15N3O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.47842 |
Area: | 430.787 |
Solvation: | -2.29125 |
Coulombic: | -32.7223 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 241.289 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.57 |
LogP (Chemaxon): | 2.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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