4-methyl-3,7,8,9-tetrahydro-2H-cyclohepta[d]pyrimidine

C10H14N2 — CID 163399710

IUPAC4-methyl-3,7,8,9-tetrahydro-2H-cyclohepta[d]pyrimidine
SMILESCC1=C2C=CCCCC2=NCN1
InChIInChI=1S/C10H14N2/c1-8-9-5-3-2-4-6-10(9)12-7-11-8/h3,5,11H,2,4,6-7H2,1H3
InChIKeyPQIAGBMWQKAMNO-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.00
Rot. Bonds

About 4-methyl-3,7,8,9-tetrahydro-2H-cyclohepta[d]pyrimidine

4-methyl-3,7,8,9-tetrahydro-2H-cyclohepta[d]pyrimidine (PubChem CID 163399710) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 4-methyl-3,7,8,9-tetrahydro-2H-cyclohepta[d]pyrimidine.

Molecular Properties

Compound Name4-methyl-3,7,8,9-tetrahydro-2H-cyclohepta[d]pyrimidine
PubChem CID163399710
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name4-methyl-3,7,8,9-tetrahydro-2H-cyclohepta[d]pyrimidine
SMILESCC1=C2C=CCCCC2=NCN1
InChIInChI=1S/C10H14N2/c1-8-9-5-3-2-4-6-10(9)12-7-11-8/h3,5,11H,2,4,6-7H2,1H3
InChIKeyPQIAGBMWQKAMNO-UHFFFAOYSA-N
XLogP2.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,7,8,9-tetrahydro-2H-cyclohepta[d]pyrimidine?
The IUPAC name of 4-methyl-3,7,8,9-tetrahydro-2H-cyclohepta[d]pyrimidine (CID 163399710) is 4-methyl-3,7,8,9-tetrahydro-2H-cyclohepta[d]pyrimidine.
What is the SMILES notation for 4-methyl-3,7,8,9-tetrahydro-2H-cyclohepta[d]pyrimidine?
The canonical SMILES for 4-methyl-3,7,8,9-tetrahydro-2H-cyclohepta[d]pyrimidine is CC1=C2C=CCCCC2=NCN1.
What is the InChIKey of 4-methyl-3,7,8,9-tetrahydro-2H-cyclohepta[d]pyrimidine?
The InChIKey is PQIAGBMWQKAMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-8-9-5-3-2-4-6-10(9)12-7-11-8/h3,5,11H,2,4,6-7H2,1H3.
What are the key properties of 4-methyl-3,7,8,9-tetrahydro-2H-cyclohepta[d]pyrimidine?
4-methyl-3,7,8,9-tetrahydro-2H-cyclohepta[d]pyrimidine has a molecular weight of 162.24 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,7,8,9-tetrahydro-2H-cyclohepta[d]pyrimidine is sourced from PubChem (CID 163399710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).