2-(3,4-dichlorophenyl)-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione

C14H14Cl2N2O2 — CID 134108726

IUPAC2-(3,4-dichlorophenyl)-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione
SMILESO=C1CC2CCCCN2C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O2/c15-11-5-4-10(7-12(11)16)18-13(19)8-9-3-1-2-6-17(9)14(18)20/h4-5,7,9H,1-3,6,8H2
InChIKeyHFGKHYJILGUOHS-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.70
Rot. Bonds1

About 2-(3,4-dichlorophenyl)-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione

2-(3,4-dichlorophenyl)-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 134108726) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID134108726
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name2-(3,4-dichlorophenyl)-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione
SMILESO=C1CC2CCCCN2C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O2/c15-11-5-4-10(7-12(11)16)18-13(19)8-9-3-1-2-6-17(9)14(18)20/h4-5,7,9H,1-3,6,8H2
InChIKeyHFGKHYJILGUOHS-UHFFFAOYSA-N
XLogP3.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dichlorophenyl)-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione with MolForge

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Related Compounds

1-cyclohexyl-3-(3,4-dichlorophenyl)-1,3-diazinane-2,4-dione
CID 23321841
1-cyclopentyl-3-(3,4-dichlorophenyl)imidazolidine-2,4-dione
CID 60836611
1-cyclobutyl-3-(3,4-dichlorophenyl)imidazolidine-2,4-dione
CID 100638454
3-(3-chloro-4-methylphenyl)-1-cyclopentylimidazolidine-2,4-dione
CID 60837303
2-(3-methoxyphenyl)-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
CID 61369779
(3S)-1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 683224
2-(3-chloro-4-methylphenyl)-5,6,7,8,9,9a-hexahydroimidazo[1,5-a]azepine-1,3-dione
CID 64564457
9-(3,4-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62713577
1-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 5184417
(3R)-1-(3,4-dichlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione
CID 6922502
N-[2-(3,4-dichlorophenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]cyclopentanecarboxamide
CID 74509211
2-(3,4-dichlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929688

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-(3,4-dichlorophenyl)-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione (CID 134108726) is 2-(3,4-dichlorophenyl)-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione is O=C1CC2CCCCN2C(=O)N1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is HFGKHYJILGUOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c15-11-5-4-10(7-12(11)16)18-13(19)8-9-3-1-2-6-17(9)14(18)20/h4-5,7,9H,1-3,6,8H2.
What are the key properties of 2-(3,4-dichlorophenyl)-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione?
2-(3,4-dichlorophenyl)-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 313.18 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 134108726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).