Chemical ID: 4493550

Cc1ccc(cc1)NC(=O)C2CC(=O)N=C(N2)N3CCN(CC3)C
Chemical ID:
4493550
Name [?]:
2-(4-methylpiperazin-1-yl)-6-oxo-N-(p-tolyl)-4,5-dihydro-3H-pyrimidine-4-carboxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)C2CC(=O)N=C(N2)N3CCN(CC3)C
InChi [?]:
InChI=1/C17H23N5O2/c1-12-3-5-13(6-4-12)18-16(24)14-11-15(23)20-17(19-14)22-9-7-21(2)8-10-22/h3-6,14H,7-11H2,1-2H3,(H,18,24)(H,19,20,23)
InChi Info:
AuxInfo=1/1/N:1,24,3,7,4,6,20,22,19,23,12,2,5,11,13,9,16,8,17,15,21,18,14,10/E:(3,4)(5,6)(7,8)(9,10)/rA:24cCCCCCCCNCOCCCONCNNCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s13;d15;s11s16;s16;s18;s19;s20;s21;s18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H23N5O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:9.44107
Area:542.637
Solvation:-4.12486
Coulombic:-57.4353
Bond Count [?]
All:26
Single:20
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:329.397
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:0.94
LogP (Chemaxon):1.62

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Descriptor Annotations

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