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;methanamine

C20H23Cl2F3N4O — CID 155709858

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;methanamine
SMILESCN.Cc1nc(N2CC3CCCC3C2)c(C(F)(F)F)c(=O)n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C19H18Cl2F3N3O.CH5N/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;1-2/h3,6-7,11-12H,2,4-5,8-9H2,1H3;2H2,1H3
InChIKeyAJMYWDIVNBVEFN-UHFFFAOYSA-N
MW463.33 g/mol
LogP4.68
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;methanamine

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;methanamine (PubChem CID 155709858) has the molecular formula C20H23Cl2F3N4O and a molecular weight of 463.33 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;methanamine.

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;methanamine
PubChem CID155709858
Molecular FormulaC20H23Cl2F3N4O
Molecular Weight463.33 g/mol
Exact Mass462.12
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;methanamine
SMILESCN.Cc1nc(N2CC3CCCC3C2)c(C(F)(F)F)c(=O)n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C19H18Cl2F3N3O.CH5N/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;1-2/h3,6-7,11-12H,2,4-5,8-9H2,1H3;2H2,1H3
InChIKeyAJMYWDIVNBVEFN-UHFFFAOYSA-N
XLogP4.68
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.33
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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;methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-(Aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)-2-(difluoromethyl)pyrimidin-4-one
CID 155165170
6-(4-Amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2-(difluoromethyl)pyrimidin-4-one
CID 155165284
6-[5-Amino-5-(2,2-difluoroethyl)azocan-1-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4-one
CID 162369009
(+/-)-(3P)-6-4-[(1R)-4-amino-4-(2,2-difluoroethyl)azepan-1-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one
CID 168474868
6-[4-(Aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one
CID 155165218
6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4-one
CID 155165286
6-[(2S,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one
CID 155184128
(3M)-6-[(1R,3R)-1-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2,5-dimethyl-3,4-dihydropyrimidin-4-one
CID 155184180
6-[(3aR,6aS)-3a-(aminomethyl)-5-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one
CID 155204015
6-[(4S)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4-one
CID 156351763
6-[(4S)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one
CID 156483022
6-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one
CID 155165187

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;methanamine?
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;methanamine (CID 155709858) 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;methanamine.
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;methanamine?
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;methanamine is CN.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;methanamine?
The InChIKey is AJMYWDIVNBVEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2F3N3O.CH5N/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;1-2/h3,6-7,11-12H,2,4-5,8-9H2,1H3;2H2,1H3.
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;methanamine?
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;methanamine has a molecular weight of 463.33 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 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;methanamine is sourced from PubChem (CID 155709858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).