6-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine

C13H20N2 — CID 170260134

IUPAC6-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
SMILESCC(C)CC1CCCc2ncncc2C1
InChIInChI=1S/C13H20N2/c1-10(2)6-11-4-3-5-13-12(7-11)8-14-9-15-13/h8-11H,3-7H2,1-2H3
InChIKeyUCDWOQOGWMETPE-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.02
Rot. Bonds2

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

6-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine (PubChem CID 170260134) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 6-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine.

Molecular Properties

Compound Name6-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
PubChem CID170260134
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name6-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
SMILESCC(C)CC1CCCc2ncncc2C1
InChIInChI=1S/C13H20N2/c1-10(2)6-11-4-3-5-13-12(7-11)8-14-9-15-13/h8-11H,3-7H2,1-2H3
InChIKeyUCDWOQOGWMETPE-UHFFFAOYSA-N
XLogP3.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
The IUPAC name of 6-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine (CID 170260134) is 6-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine.
What is the SMILES notation for 6-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
The canonical SMILES for 6-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine is CC(C)CC1CCCc2ncncc2C1.
What is the InChIKey of 6-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
The InChIKey is UCDWOQOGWMETPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10(2)6-11-4-3-5-13-12(7-11)8-14-9-15-13/h8-11H,3-7H2,1-2H3.
What are the key properties of 6-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
6-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine has a molecular weight of 204.32 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine is sourced from PubChem (CID 170260134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).