6-ethoxy-N-(2-ethylcyclohexyl)pyrimidin-4-amine

C14H23N3O — CID 66328400

IUPAC6-ethoxy-N-(2-ethylcyclohexyl)pyrimidin-4-amine
SMILESCCOc1cc(NC2CCCCC2CC)ncn1
InChIInChI=1S/C14H23N3O/c1-3-11-7-5-6-8-12(11)17-13-9-14(18-4-2)16-10-15-13/h9-12H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyLTXFDORHBBSOFN-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.26
Rot. Bonds5

About 6-ethoxy-N-(2-ethylcyclohexyl)pyrimidin-4-amine

6-ethoxy-N-(2-ethylcyclohexyl)pyrimidin-4-amine (PubChem CID 66328400) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-ethoxy-N-(2-ethylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-(2-ethylcyclohexyl)pyrimidin-4-amine
PubChem CID66328400
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name6-ethoxy-N-(2-ethylcyclohexyl)pyrimidin-4-amine
SMILESCCOc1cc(NC2CCCCC2CC)ncn1
InChIInChI=1S/C14H23N3O/c1-3-11-7-5-6-8-12(11)17-13-9-14(18-4-2)16-10-15-13/h9-12H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyLTXFDORHBBSOFN-UHFFFAOYSA-N
XLogP3.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-N-(2-ethylcyclohexyl)-2-methylpyrimidin-4-amine
CID 66327527
6-ethoxy-N-(2-methylcyclopropyl)pyrimidin-4-amine
CID 66330184
4-ethoxy-N-(2-ethylcyclohexyl)-6-methylpyrimidin-2-amine
CID 112637169
N-(2-bicyclo[2.2.1]heptanyl)-6-ethoxypyrimidin-4-amine
CID 66330992
N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine
CID 133490645
6-ethoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine
CID 80720746
6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine
CID 66319465
N-cyclohex-2-en-1-yl-6-ethoxypyrimidin-4-amine
CID 133491217
N-(3,5-dimethylcyclohexyl)-6-ethoxypyrimidin-4-amine
CID 66330405
6-butoxy-N-cyclohexylpyrimidin-4-amine
CID 82453632
6-ethoxy-N-(oxolan-3-yl)pyrimidin-4-amine
CID 80713528
6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 66319236

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(2-ethylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-(2-ethylcyclohexyl)pyrimidin-4-amine (CID 66328400) is 6-ethoxy-N-(2-ethylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-(2-ethylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-(2-ethylcyclohexyl)pyrimidin-4-amine is CCOc1cc(NC2CCCCC2CC)ncn1.
What is the InChIKey of 6-ethoxy-N-(2-ethylcyclohexyl)pyrimidin-4-amine?
The InChIKey is LTXFDORHBBSOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-11-7-5-6-8-12(11)17-13-9-14(18-4-2)16-10-15-13/h9-12H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 6-ethoxy-N-(2-ethylcyclohexyl)pyrimidin-4-amine?
6-ethoxy-N-(2-ethylcyclohexyl)pyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(2-ethylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 66328400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).