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Chemical ID: 5285576
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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