Chemical ID: 6835421

Cc1cc(nc(n1)Nc2ccc(cc2)C(=O)[O-])C
Chemical ID:
6835421
Name [?]:
4-(4,6-dimethylpyrimidin-2-yl)aminobenzoate
SMILES [?]:
Cc1cc(nc(n1)Nc2ccc(cc2)C(=O)[O-])C
InChi [?]:
InChI=1/C13H13N3O2/c1-8-7-9(2)15-13(14-8)16-11-5-3-10(4-6-11)12(17)18/h3-7H,1-2H3,(H,17,18)(H,14,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,18,11,13,10,14,3,2,4,12,9,15,6,7,5,8,16,17/E:(1,2)(3,4)(5,6)(8,9)(14,15)(17,18)/rA:18nCCCCNCNNCCCCCCCOO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12N3O2-
All Atoms:30
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-33.5369
Area:430.089
Solvation:-44.2892
Coulombic:-22.1859
Bond Count [?]
All:19
Single:12
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:242.253
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.43
LogP (Chemaxon):1.2

Name Annotations

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Descriptor Annotations

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