6-methyl-6H-cyclohepta[d]pyrimidine

C10H10N2 — CID 89129896

IUPAC6-methyl-6H-cyclohepta[d]pyrimidine
SMILESCC1C=CC=c2ncncc2=C1
InChIInChI=1S/C10H10N2/c1-8-3-2-4-10-9(5-8)6-11-7-12-10/h2-8H,1H3
InChIKeyPLWICHLQCCWWPL-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.24
Rot. Bonds

About 6-methyl-6H-cyclohepta[d]pyrimidine

6-methyl-6H-cyclohepta[d]pyrimidine (PubChem CID 89129896) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 6-methyl-6H-cyclohepta[d]pyrimidine.

Molecular Properties

Compound Name6-methyl-6H-cyclohepta[d]pyrimidine
PubChem CID89129896
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name6-methyl-6H-cyclohepta[d]pyrimidine
SMILESCC1C=CC=c2ncncc2=C1
InChIInChI=1S/C10H10N2/c1-8-3-2-4-10-9(5-8)6-11-7-12-10/h2-8H,1H3
InChIKeyPLWICHLQCCWWPL-UHFFFAOYSA-N
XLogP0.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-6H-cyclohepta[d]pyrimidine?
The IUPAC name of 6-methyl-6H-cyclohepta[d]pyrimidine (CID 89129896) is 6-methyl-6H-cyclohepta[d]pyrimidine.
What is the SMILES notation for 6-methyl-6H-cyclohepta[d]pyrimidine?
The canonical SMILES for 6-methyl-6H-cyclohepta[d]pyrimidine is CC1C=CC=c2ncncc2=C1.
What is the InChIKey of 6-methyl-6H-cyclohepta[d]pyrimidine?
The InChIKey is PLWICHLQCCWWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-8-3-2-4-10-9(5-8)6-11-7-12-10/h2-8H,1H3.
What are the key properties of 6-methyl-6H-cyclohepta[d]pyrimidine?
6-methyl-6H-cyclohepta[d]pyrimidine has a molecular weight of 158.20 g/mol, XLogP of 0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6H-cyclohepta[d]pyrimidine is sourced from PubChem (CID 89129896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).