2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine

C17H29N3 — CID 80609287

IUPAC2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC)nc(C2CCCCCCC2)n1
InChIInChI=1S/C17H29N3/c1-3-10-15-13-16(18-4-2)20-17(19-15)14-11-8-6-5-7-9-12-14/h13-14H,3-12H2,1-2H3,(H,18,19,20)
InChIKeyNTRSIJJODXSHSU-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.69
Rot. Bonds5

About 2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine

2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine (PubChem CID 80609287) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine
PubChem CID80609287
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC)nc(C2CCCCCCC2)n1
InChIInChI=1S/C17H29N3/c1-3-10-15-13-16(18-4-2)20-17(19-15)14-11-8-6-5-7-9-12-14/h13-14H,3-12H2,1-2H3,(H,18,19,20)
InChIKeyNTRSIJJODXSHSU-UHFFFAOYSA-N
XLogP4.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclooctyl-N,6-diethylpyrimidin-4-amine
CID 80609911
2-cycloheptyl-N-methyl-6-propylpyrimidin-4-amine
CID 65399592
N-ethyl-2-(oxan-3-yl)-6-propylpyrimidin-4-amine
CID 63739311
N-ethyl-2-(3-ethylcyclopentyl)-6-propylpyrimidin-4-amine
CID 65405998
4-chloro-2-cyclooctyl-6-propylpyrimidine
CID 80602535
6-tert-butyl-2-cycloheptyl-N-ethylpyrimidin-4-amine
CID 65399986
N-ethyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine
CID 65328938
2-cyclopropyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320790
2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 55045869
2-cyclohexyl-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486677
2-(4-ethylcyclohexyl)-N-methyl-6-propylpyrimidin-4-amine
CID 65390530
N,6-diethyl-2-(3-methylcyclopentyl)pyrimidin-4-amine
CID 65415234

Frequently Asked Questions

What is the IUPAC name of 2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine?
The IUPAC name of 2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine (CID 80609287) is 2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine is CCCc1cc(NCC)nc(C2CCCCCCC2)n1.
What is the InChIKey of 2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine?
The InChIKey is NTRSIJJODXSHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-10-15-13-16(18-4-2)20-17(19-15)14-11-8-6-5-7-9-12-14/h13-14H,3-12H2,1-2H3,(H,18,19,20).
What are the key properties of 2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine?
2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine has a molecular weight of 275.44 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 80609287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).