6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one

C19H18Cl2F3N3O — CID 155204364

IUPAC6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one
SMILESCc1nc(N2CC3CCCC3C2)c(C(F)(F)F)c(=O)n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C19H18Cl2F3N3O/c1-10-25-17(26-8-11-4-2-5-12(11)9-26)15(19(22,23)24)18(28)27(10)14-7-3-6-13(20)16(14)21/h3,6-7,11-12H,2,4-5,8-9H2,1H3
InChIKeyPXGIDHOIQSRPIO-UHFFFAOYSA-N
MW432.27 g/mol
LogP5.10
Rot. Bonds2

About 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one

6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one (PubChem CID 155204364) has the molecular formula C19H18Cl2F3N3O and a molecular weight of 432.27 g/mol. Its IUPAC name is 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one
PubChem CID155204364
Molecular FormulaC19H18Cl2F3N3O
Molecular Weight432.27 g/mol
Exact Mass431.08
IUPAC Name6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one
SMILESCc1nc(N2CC3CCCC3C2)c(C(F)(F)F)c(=O)n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C19H18Cl2F3N3O/c1-10-25-17(26-8-11-4-2-5-12(11)9-26)15(19(22,23)24)18(28)27(10)14-7-3-6-13(20)16(14)21/h3,6-7,11-12H,2,4-5,8-9H2,1H3
InChIKeyPXGIDHOIQSRPIO-UHFFFAOYSA-N
XLogP5.10
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.27
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one (CID 155204364) is 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one is Cc1nc(N2CC3CCCC3C2)c(C(F)(F)F)c(=O)n1-c1cccc(Cl)c1Cl.
What is the InChIKey of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is PXGIDHOIQSRPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2F3N3O/c1-10-25-17(26-8-11-4-2-5-12(11)9-26)15(19(22,23)24)18(28)27(10)14-7-3-6-13(20)16(14)21/h3,6-7,11-12H,2,4-5,8-9H2,1H3.
What are the key properties of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one?
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 432.27 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 155204364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).