2-cyclooctyl-N,6-diethylpyrimidin-4-amine

C16H27N3 — CID 80609911

IUPAC2-cyclooctyl-N,6-diethylpyrimidin-4-amine
SMILESCCNc1cc(CC)nc(C2CCCCCCC2)n1
InChIInChI=1S/C16H27N3/c1-3-14-12-15(17-4-2)19-16(18-14)13-10-8-6-5-7-9-11-13/h12-13H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyVPYCSALWGCCYTQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.30
Rot. Bonds4

About 2-cyclooctyl-N,6-diethylpyrimidin-4-amine

2-cyclooctyl-N,6-diethylpyrimidin-4-amine (PubChem CID 80609911) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-cyclooctyl-N,6-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclooctyl-N,6-diethylpyrimidin-4-amine
PubChem CID80609911
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-cyclooctyl-N,6-diethylpyrimidin-4-amine
SMILESCCNc1cc(CC)nc(C2CCCCCCC2)n1
InChIInChI=1S/C16H27N3/c1-3-14-12-15(17-4-2)19-16(18-14)13-10-8-6-5-7-9-11-13/h12-13H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyVPYCSALWGCCYTQ-UHFFFAOYSA-N
XLogP4.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclooctyl-N,6-diethylpyrimidin-4-amine?
The IUPAC name of 2-cyclooctyl-N,6-diethylpyrimidin-4-amine (CID 80609911) is 2-cyclooctyl-N,6-diethylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclooctyl-N,6-diethylpyrimidin-4-amine?
The canonical SMILES for 2-cyclooctyl-N,6-diethylpyrimidin-4-amine is CCNc1cc(CC)nc(C2CCCCCCC2)n1.
What is the InChIKey of 2-cyclooctyl-N,6-diethylpyrimidin-4-amine?
The InChIKey is VPYCSALWGCCYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-14-12-15(17-4-2)19-16(18-14)13-10-8-6-5-7-9-11-13/h12-13H,3-11H2,1-2H3,(H,17,18,19).
What are the key properties of 2-cyclooctyl-N,6-diethylpyrimidin-4-amine?
2-cyclooctyl-N,6-diethylpyrimidin-4-amine has a molecular weight of 261.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyl-N,6-diethylpyrimidin-4-amine is sourced from PubChem (CID 80609911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).