1-[(2,3-dichlorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine

C14H18Cl2N2 — CID 66634297

IUPAC1-[(2,3-dichlorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine
SMILESClc1cccc(CN2CCCN3CCCC32)c1Cl
InChIInChI=1S/C14H18Cl2N2/c15-12-5-1-4-11(14(12)16)10-18-9-3-8-17-7-2-6-13(17)18/h1,4-5,13H,2-3,6-10H2
InChIKeyWITKTULZSTXEPZ-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.62
Rot. Bonds2

About 1-[(2,3-dichlorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine

1-[(2,3-dichlorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine (PubChem CID 66634297) has the molecular formula C14H18Cl2N2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine
PubChem CID66634297
Molecular FormulaC14H18Cl2N2
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine
SMILESClc1cccc(CN2CCCN3CCCC32)c1Cl
InChIInChI=1S/C14H18Cl2N2/c15-12-5-1-4-11(14(12)16)10-18-9-3-8-17-7-2-6-13(17)18/h1,4-5,13H,2-3,6-10H2
InChIKeyWITKTULZSTXEPZ-UHFFFAOYSA-N
XLogP3.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2,3-dichlorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine 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

1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine
CID 141023901
1-[(2,3-dichlorophenyl)methyl]azetidine
CID 131042479
1-benzyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine;ethane
CID 123575402
N-[[1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine
CID 107306708
4-bromo-1-[(2,3-dichlorophenyl)methyl]piperidine
CID 107310040
3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine
CID 107309973
1-[(2,3-dichlorophenyl)methyl]azetidine-2-carboxylic acid
CID 154747262
3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine
CID 40501419
N-benzyl-1-[(2,3-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 102502878
4-(3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-1-ylmethyl)benzoic acid
CID 59294165
2-chloro-6-[(2-methylpyrrolidin-1-yl)methyl]phenol
CID 112553673
(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 26458106

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine (CID 66634297) is 1-[(2,3-dichlorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine is Clc1cccc(CN2CCCN3CCCC32)c1Cl.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine?
The InChIKey is WITKTULZSTXEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2/c15-12-5-1-4-11(14(12)16)10-18-9-3-8-17-7-2-6-13(17)18/h1,4-5,13H,2-3,6-10H2.
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine?
1-[(2,3-dichlorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine has a molecular weight of 285.22 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine is sourced from PubChem (CID 66634297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).