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

Analyze 2-cyclooctyl-N,6-diethylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine
CID 80609287
N,6-diethyl-2-(3-methylcyclopentyl)pyrimidin-4-amine
CID 65415234
2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 55045869
6-tert-butyl-2-cycloheptyl-N-ethylpyrimidin-4-amine
CID 65399986
2-cyclopropyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320790
2-cycloheptyl-N-methyl-6-propylpyrimidin-4-amine
CID 65399592
2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82458405
6-cyclohexyloxy-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965359
6-ethyl-2-(4-ethylcyclohexyl)-N-propylpyrimidin-4-amine
CID 65390933
N-ethyl-2-(oxan-3-yl)-6-propylpyrimidin-4-amine
CID 63739311
2-cyclopropyl-6-N-ethyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine
CID 80959481
6-ethyl-N-methyl-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 55045483

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).