Chemical ID: 6450103

Cc1ccc(c(c1)Cc2c(nc(nc2O)C)C)C
Chemical ID:
6450103
Name [?]:
5-[(2,5-dimethylphenyl)methyl]-2,6-dimethyl-pyrimidin-4-ol
SMILES [?]:
Cc1ccc(c(c1)Cc2c(nc(nc2O)C)C)C
InChi [?]:
InChI=1/C15H18N2O/c1-9-5-6-10(2)13(7-9)8-14-11(3)16-12(4)17-15(14)18/h5-7H,8H2,1-4H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,18,17,16,3,4,7,8,2,5,10,12,6,9,14,11,13,15/rA:18nCCCCCCCCCCNCNCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s14;s12;s10;s5;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18N2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.75602
Area:432.091
Solvation:-2.04627
Coulombic:-27.4062
Bond Count [?]
All:19
Single:13
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:242.316
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.31
LogP (Chemaxon):4.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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