Summary

IMPPAT Phytochemical identifier: IMPHY017496

Phytochemical name: 3,6-Dimethyl-1-(4-morpholin-4-yl-butyl)-1H-pyrimidine-2,4-dione

Synonymous chemical names:
hexahydro-3,6-dimethyl-1-(4-morpholinobutyl)- pyrimidine-2,4 dione

External chemical identifiers:
CID:567606, ZINC:ZINC000019855700, MolPort-001-903-733

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Chemical structure information

SMILES:
Cn1c(=O)cc(n(c1=O)CCCCN1CCOCC1)C

InChI:
InChI=1S/C14H23N3O3/c1-12-11-13(18)15(2)14(19)17(12)6-4-3-5-16-7-9-20-10-8-16/h11H,3-10H2,1-2H3

InChIKey:
TZCIMTVWDHJLKQ-UHFFFAOYSA-N

DeepSMILES:
Cnc=O)ccnc6=O))CCCCNCCOCC6)))))))))))C

Functional groups:
CN(C)C, COC, c=O, cn(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccn(CCCCN2CCOCC2)c(=O)[nH]1

Scaffold Graph/Node level:
OC1CCN(CCCCN2CCOCC2)C(O)N1

Scaffold Graph level:
CC1CCC(CCCCC2CCCCC2)C(C)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Diazines

ClassyFire Subclass: Pyrimidines and pyrimidine derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -1.627

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Chemical structure download