Chemical ID: 7114407

CCCCN1C(=O)CC(=O)NC1=O
Chemical ID:
7114407
Name [?]:
1-butylhexahydropyrimidine-2,4,6-trione
SMILES [?]:
CCCCN1C(=O)CC(=O)NC1=O
InChi [?]:
InChI=1/C8H12N2O3/c1-2-3-4-10-7(12)5-6(11)9-8(10)13/h2-5H2,1H3,(H,9,11,13)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,8,9,6,12,11,5,10,7,13/rA:13nCCCCNCOCCONCO/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s9;s5s11;d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H12N2O3
All Atoms:25
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.10765
Area:353.092
Solvation:-2.71965
Coulombic:-44.9886
Bond Count [?]
All:13
Single:10
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:184.193
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:-0.14
LogP (Chemaxon):0.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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