Chemical ID: 4897800

Cc1ccccc1N2C(=O)C(=CNN3CCN(CC3)C)C(=O)NC2=O
Chemical ID:
4897800
Name [?]:
5-[(4-methylpiperazin-1-yl)aminomethylene]-1-(o-tolyl)hexahydropyrimidine-2,4,6-trione
SMILES [?]:
Cc1ccccc1N2C(=O)C(=CNN3CCN(CC3)C)C(=O)NC2=O
InChi [?]:
InChI=1/C17H21N5O3/c1-12-5-3-4-6-14(12)22-16(24)13(15(23)19-17(22)25)11-18-21-9-7-20(2)8-10-21/h3-6,11,18H,7-10H2,1-2H3,(H,19,23,25)
InChi Info:
AuxInfo=1/1/N:1,20,4,5,3,6,16,18,15,19,12,2,11,7,21,9,24,13,23,17,14,8,22,10,25/E:(7,8)(9,10)/rA:25nCCCCCCCNCOCCNNCCNCCCCONCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;s13;s14;s15;s16;s17;s14s18;s17;s11;d21;s21;s8s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21N5O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.86483
Area:537.577
Solvation:-3.57458
Coulombic:-62.2342
Bond Count [?]
All:27
Single:20
Double:7
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:343.381
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:0.17
LogP (Chemaxon):-0.88

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