N-(2,5-dichloropyrimidin-4-yl)-2-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

C12H16Cl2N4O2S — CID 126665269

IUPACN-(2,5-dichloropyrimidin-4-yl)-2-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESCS(=O)(=O)N1CC2CC(Nc3nc(Cl)ncc3Cl)CC2C1
InChIInChI=1S/C12H16Cl2N4O2S/c1-21(19,20)18-5-7-2-9(3-8(7)6-18)16-11-10(13)4-15-12(14)17-11/h4,7-9H,2-3,5-6H2,1H3,(H,15,16,17)
InChIKeyWUJQELFOOQEEHQ-UHFFFAOYSA-N
MW351.26 g/mol
LogP1.87
Rot. Bonds3

About N-(2,5-dichloropyrimidin-4-yl)-2-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

N-(2,5-dichloropyrimidin-4-yl)-2-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (PubChem CID 126665269) has the molecular formula C12H16Cl2N4O2S and a molecular weight of 351.26 g/mol. Its IUPAC name is N-(2,5-dichloropyrimidin-4-yl)-2-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound NameN-(2,5-dichloropyrimidin-4-yl)-2-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
PubChem CID126665269
Molecular FormulaC12H16Cl2N4O2S
Molecular Weight351.26 g/mol
Exact Mass350.04
IUPAC NameN-(2,5-dichloropyrimidin-4-yl)-2-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESCS(=O)(=O)N1CC2CC(Nc3nc(Cl)ncc3Cl)CC2C1
InChIInChI=1S/C12H16Cl2N4O2S/c1-21(19,20)18-5-7-2-9(3-8(7)6-18)16-11-10(13)4-15-12(14)17-11/h4,7-9H,2-3,5-6H2,1H3,(H,15,16,17)
InChIKeyWUJQELFOOQEEHQ-UHFFFAOYSA-N
XLogP1.87
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloropyrimidin-4-yl)-2-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The IUPAC name of N-(2,5-dichloropyrimidin-4-yl)-2-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (CID 126665269) is N-(2,5-dichloropyrimidin-4-yl)-2-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for N-(2,5-dichloropyrimidin-4-yl)-2-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The canonical SMILES for N-(2,5-dichloropyrimidin-4-yl)-2-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is CS(=O)(=O)N1CC2CC(Nc3nc(Cl)ncc3Cl)CC2C1.
What is the InChIKey of N-(2,5-dichloropyrimidin-4-yl)-2-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The InChIKey is WUJQELFOOQEEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N4O2S/c1-21(19,20)18-5-7-2-9(3-8(7)6-18)16-11-10(13)4-15-12(14)17-11/h4,7-9H,2-3,5-6H2,1H3,(H,15,16,17).
What are the key properties of N-(2,5-dichloropyrimidin-4-yl)-2-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
N-(2,5-dichloropyrimidin-4-yl)-2-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine has a molecular weight of 351.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloropyrimidin-4-yl)-2-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 126665269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).