2-(2,6-dichloropyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C11H13Cl2N3 — CID 169246460

IUPAC2-(2,6-dichloropyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESClc1cc(N2CC3CCCC3C2)nc(Cl)n1
InChIInChI=1S/C11H13Cl2N3/c12-9-4-10(15-11(13)14-9)16-5-7-2-1-3-8(7)6-16/h4,7-8H,1-3,5-6H2
InChIKeyUDDYCHIIMKCMDO-UHFFFAOYSA-N
MW258.15 g/mol
LogP3.02
Rot. Bonds1

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

2-(2,6-dichloropyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 169246460) has the molecular formula C11H13Cl2N3 and a molecular weight of 258.15 g/mol. Its IUPAC name is 2-(2,6-dichloropyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-(2,6-dichloropyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID169246460
Molecular FormulaC11H13Cl2N3
Molecular Weight258.15 g/mol
Exact Mass257.05
IUPAC Name2-(2,6-dichloropyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESClc1cc(N2CC3CCCC3C2)nc(Cl)n1
InChIInChI=1S/C11H13Cl2N3/c12-9-4-10(15-11(13)14-9)16-5-7-2-1-3-8(7)6-16/h4,7-8H,1-3,5-6H2
InChIKeyUDDYCHIIMKCMDO-UHFFFAOYSA-N
XLogP3.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,6-dichloropyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole with MolForge

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Related Compounds

(3aS,6aS)-2-(6-chloro-2-methylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 129381760
(3aR,6aR)-2-(6-chloropyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 129380883
1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol
CID 130569673
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-6-chloropyrimidin-2-amine
CID 112725444
2-(4,6-dichloro-1,3,5-triazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115561016
5-(6-chloro-2-methylpyrimidin-4-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121205987
1-(2-chloro-6-methylpyrimidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65324380
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethylpyrimidin-4-amine
CID 115563079
N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]propanamide
CID 138005845
5-cyclopropyl-1-(2,6-dichloropyrimidin-4-yl)imidazolidin-2-one
CID 137439929
2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-4-chloro-1,3-thiazole
CID 130714926
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-N-methylpyrimidin-4-amine
CID 115563096

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloropyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-(2,6-dichloropyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 169246460) is 2-(2,6-dichloropyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-(2,6-dichloropyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-(2,6-dichloropyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is Clc1cc(N2CC3CCCC3C2)nc(Cl)n1.
What is the InChIKey of 2-(2,6-dichloropyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is UDDYCHIIMKCMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3/c12-9-4-10(15-11(13)14-9)16-5-7-2-1-3-8(7)6-16/h4,7-8H,1-3,5-6H2.
What are the key properties of 2-(2,6-dichloropyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-(2,6-dichloropyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 258.15 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloropyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 169246460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).