2-(2-chlorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine

C16H18ClN3 — CID 107385197

IUPAC2-(2-chlorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCNC1CCCCc2nc(-c3ccccc3Cl)ncc21
InChIInChI=1S/C16H18ClN3/c1-18-14-8-4-5-9-15-12(14)10-19-16(20-15)11-6-2-3-7-13(11)17/h2-3,6-7,10,14,18H,4-5,8-9H2,1H3
InChIKeyAZWKJPIGTKUYFC-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.78
Rot. Bonds2

About 2-(2-chlorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine

2-(2-chlorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (PubChem CID 107385197) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
PubChem CID107385197
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name2-(2-chlorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCNC1CCCCc2nc(-c3ccccc3Cl)ncc21
InChIInChI=1S/C16H18ClN3/c1-18-14-8-4-5-9-15-12(14)10-19-16(20-15)11-6-2-3-7-13(11)17/h2-3,6-7,10,14,18H,4-5,8-9H2,1H3
InChIKeyAZWKJPIGTKUYFC-UHFFFAOYSA-N
XLogP3.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (CID 107385197) is 2-(2-chlorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is CNC1CCCCc2nc(-c3ccccc3Cl)ncc21.
What is the InChIKey of 2-(2-chlorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The InChIKey is AZWKJPIGTKUYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-18-14-8-4-5-9-15-12(14)10-19-16(20-15)11-6-2-3-7-13(11)17/h2-3,6-7,10,14,18H,4-5,8-9H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
2-(2-chlorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine has a molecular weight of 287.79 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is sourced from PubChem (CID 107385197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).