Chemical ID: 5285576

Cc1ccccc1Nc2[nH]c(=O)c(c(n2)C)CCC(C)C
Chemical ID:
5285576
Name [?]:
5-isopentyl-6-methyl-2-(o-tolylamino)-3H-pyrimidin-4-one
SMILES [?]:
Cc1ccccc1Nc2[nH]c(=O)c(c(n2)C)CCC(C)C
InChi [?]:
InChI=1/C17H23N3O/c1-11(2)9-10-14-13(4)18-17(20-16(14)21)19-15-8-6-5-7-12(15)3/h5-8,11H,9-10H2,1-4H3,(H2,18,19,20,21)
InChi Info:
AuxInfo=1/1/N:20,21,1,16,4,5,3,6,18,17,19,2,14,13,7,11,9,15,8,10,12/E:(1,2)/rA:21nCCCCCCCNCNCOCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s11;d13;d9s14;s14;s13;s17;s18;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H23N3O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.4392
Area:495.389
Solvation:-1.94557
Coulombic:-39.1773
Bond Count [?]
All:22
Single:16
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:285.384
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.76
LogP (Chemaxon):4.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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