2,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine

C11H16N2 — CID 15122254

IUPAC2,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
SMILESCc1nc(C)c2c(n1)CCCCC2
InChIInChI=1S/C11H16N2/c1-8-10-6-4-3-5-7-11(10)13-9(2)12-8/h3-7H2,1-2H3
InChIKeyIIJMQQOBNUTNKY-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.36
Rot. Bonds

About 2,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine

2,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine (PubChem CID 15122254) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
PubChem CID15122254
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
SMILESCc1nc(C)c2c(n1)CCCCC2
InChIInChI=1S/C11H16N2/c1-8-10-6-4-3-5-7-11(10)13-9(2)12-8/h3-7H2,1-2H3
InChIKeyIIJMQQOBNUTNKY-UHFFFAOYSA-N
XLogP2.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
The IUPAC name of 2,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine (CID 15122254) is 2,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine.
What is the SMILES notation for 2,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
The canonical SMILES for 2,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine is Cc1nc(C)c2c(n1)CCCCC2.
What is the InChIKey of 2,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
The InChIKey is IIJMQQOBNUTNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8-10-6-4-3-5-7-11(10)13-9(2)12-8/h3-7H2,1-2H3.
What are the key properties of 2,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
2,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine has a molecular weight of 176.26 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine is sourced from PubChem (CID 15122254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).