2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methylpyrimidin-4-amine

C16H27N3O — CID 116776337

IUPAC2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methylpyrimidin-4-amine
SMILESCCOC(c1nc(N)c(C)c(CC)n1)C1CCCCC1
InChIInChI=1S/C16H27N3O/c1-4-13-11(3)15(17)19-16(18-13)14(20-5-2)12-9-7-6-8-10-12/h12,14H,4-10H2,1-3H3,(H2,17,18,19)
InChIKeyFSDZOZUONLJLNE-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.59
Rot. Bonds5

About 2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methylpyrimidin-4-amine

2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methylpyrimidin-4-amine (PubChem CID 116776337) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methylpyrimidin-4-amine
PubChem CID116776337
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methylpyrimidin-4-amine
SMILESCCOC(c1nc(N)c(C)c(CC)n1)C1CCCCC1
InChIInChI=1S/C16H27N3O/c1-4-13-11(3)15(17)19-16(18-13)14(20-5-2)12-9-7-6-8-10-12/h12,14H,4-10H2,1-3H3,(H2,17,18,19)
InChIKeyFSDZOZUONLJLNE-UHFFFAOYSA-N
XLogP3.59
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexyl(methoxy)methyl]-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 116776346
2-[cyclopropyl(ethoxy)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116728665
2-(1-ethoxypropyl)-6-ethyl-5-methylpyrimidin-4-amine
CID 116729178
2-cyclohexyl-6-ethyl-5-methylpyrimidin-4-amine
CID 63559786
2-[cyclopropyl(ethoxy)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 116728385
4-chloro-2-[cyclohexyl(ethoxy)methyl]-5-fluoro-6-methylpyrimidine
CID 116746025
5-bromo-3-[cyclohexyl(ethoxy)methyl]-1,2,4-thiadiazole
CID 102617950
5-bromo-2-[cyclohexyl(ethoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 116776509
ethyl 2-[cyclopropyl(ethoxy)methyl]-4-ethylpyrimidine-5-carboxylate
CID 102972887
[2-[cyclohexyl(ethoxy)methyl]-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 116777584
[2-[cyclohexyl(ethoxy)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116777479
2-cyclobutyl-6-ethyl-5-methylpyrimidin-4-amine
CID 64985726

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methylpyrimidin-4-amine (CID 116776337) is 2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methylpyrimidin-4-amine is CCOC(c1nc(N)c(C)c(CC)n1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is FSDZOZUONLJLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-13-11(3)15(17)19-16(18-13)14(20-5-2)12-9-7-6-8-10-12/h12,14H,4-10H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methylpyrimidin-4-amine?
2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 116776337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).