Chemical ID: 4774963

Cc1c(c(nc(n1)c2cccnc2)O)CC3CC3
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

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Descriptor Annotations

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