Chemical ID: 4662502

COC(=O)C1CC(=O)NC(=O)N1
Chemical ID:
4662502
Name [?]:
methyl 2,6-dioxohexahydropyrimidine-4-carboxylate
SMILES [?]:
COC(=O)C1CC(=O)NC(=O)N1
InChi [?]:
InChI=1/C6H8N2O4/c1-12-5(10)3-2-4(9)8-6(11)7-3/h3H,2H2,1H3,(H2,7,8,9,11)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,3,10,12,9,8,4,11,2/rA:12cCOCOCCCONCON/rB:s1;s2;d3;s3;s5;s6;d7;s7;s9;d10;s5s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H8N2O4
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:4.79855
Area:325.986
Solvation:-3.35111
Coulombic:-58.8541
Bond Count [?]
All:12
Single:9
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:172.139
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:-1.35
LogP (Chemaxon):-1.4

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Descriptor Annotations

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