Chemical ID: 6472852

CC1CN(C(=O)NC1=O)c2ccccc2OC
Chemical ID:
6472852
Name [?]:
1-(2-methoxyphenyl)-5-methyl-hexahydropyrimidine-2,4-dione
SMILES [?]:
CC1CN(C(=O)NC1=O)c2ccccc2OC
InChi [?]:
InChI=1/C12H14N2O3/c1-8-7-14(12(16)13-11(8)15)9-5-3-4-6-10(9)17-2/h3-6,8H,7H2,1-2H3,(H,13,15,16)
InChi Info:
AuxInfo=1/1/N:1,17,12,13,11,14,3,2,10,15,8,5,7,4,9,6,16/rA:17cCCCNCONCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;s2s7;d8;s4;s10;d11;s12;d13;d10s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14N2O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:6.16204
Area:399.531
Solvation:-3.82623
Coulombic:-45.0686
Bond Count [?]
All:18
Single:13
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:234.251
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.76
LogP (Chemaxon):1.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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