2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine

C10H14N2 — CID 59097994

IUPAC2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
SMILESCc1ncc2c(n1)CCCCC2
InChIInChI=1S/C10H14N2/c1-8-11-7-9-5-3-2-4-6-10(9)12-8/h7H,2-6H2,1H3
InChIKeyUSLIBRLXLKCPIZ-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.05
Rot. Bonds

About 2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine

2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine (PubChem CID 59097994) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine.

Molecular Properties

Compound Name2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
PubChem CID59097994
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
SMILESCc1ncc2c(n1)CCCCC2
InChIInChI=1S/C10H14N2/c1-8-11-7-9-5-3-2-4-6-10(9)12-8/h7H,2-6H2,1H3
InChIKeyUSLIBRLXLKCPIZ-UHFFFAOYSA-N
XLogP2.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
The IUPAC name of 2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine (CID 59097994) is 2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine.
What is the SMILES notation for 2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
The canonical SMILES for 2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine is Cc1ncc2c(n1)CCCCC2.
What is the InChIKey of 2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
The InChIKey is USLIBRLXLKCPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-8-11-7-9-5-3-2-4-6-10(9)12-8/h7H,2-6H2,1H3.
What are the key properties of 2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine has a molecular weight of 162.24 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine is sourced from PubChem (CID 59097994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).