1-[2-[cyclohexyl(ethoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine

C17H29N3O — CID 116778896

IUPAC1-[2-[cyclohexyl(ethoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
SMILESCCOC(c1ncc(C(C)NC)c(C)n1)C1CCCCC1
InChIInChI=1S/C17H29N3O/c1-5-21-16(14-9-7-6-8-10-14)17-19-11-15(12(2)18-4)13(3)20-17/h11-12,14,16,18H,5-10H2,1-4H3
InChIKeyKCGDSILAQGFDJT-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.72
Rot. Bonds6

About 1-[2-[cyclohexyl(ethoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine

1-[2-[cyclohexyl(ethoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine (PubChem CID 116778896) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[2-[cyclohexyl(ethoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[cyclohexyl(ethoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
PubChem CID116778896
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[2-[cyclohexyl(ethoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
SMILESCCOC(c1ncc(C(C)NC)c(C)n1)C1CCCCC1
InChIInChI=1S/C17H29N3O/c1-5-21-16(14-9-7-6-8-10-14)17-19-11-15(12(2)18-4)13(3)20-17/h11-12,14,16,18H,5-10H2,1-4H3
InChIKeyKCGDSILAQGFDJT-UHFFFAOYSA-N
XLogP3.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclohexyl(ethoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-[cyclohexyl(ethoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine (CID 116778896) is 1-[2-[cyclohexyl(ethoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[cyclohexyl(ethoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-[cyclohexyl(ethoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine is CCOC(c1ncc(C(C)NC)c(C)n1)C1CCCCC1.
What is the InChIKey of 1-[2-[cyclohexyl(ethoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine?
The InChIKey is KCGDSILAQGFDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-21-16(14-9-7-6-8-10-14)17-19-11-15(12(2)18-4)13(3)20-17/h11-12,14,16,18H,5-10H2,1-4H3.
What are the key properties of 1-[2-[cyclohexyl(ethoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine?
1-[2-[cyclohexyl(ethoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine has a molecular weight of 291.44 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclohexyl(ethoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine is sourced from PubChem (CID 116778896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).