1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]-N-methylethanamine

C14H25N3O — CID 116778892

IUPAC1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]-N-methylethanamine
SMILESCCOC(C)(CC)c1ncc(C(C)NC)c(C)n1
InChIInChI=1S/C14H25N3O/c1-7-14(5,18-8-2)13-16-9-12(10(3)15-6)11(4)17-13/h9-10,15H,7-8H2,1-6H3
InChIKeyIYPKIZRVBBUACV-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.73
Rot. Bonds6

About 1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]-N-methylethanamine

1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]-N-methylethanamine (PubChem CID 116778892) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]-N-methylethanamine
PubChem CID116778892
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]-N-methylethanamine
SMILESCCOC(C)(CC)c1ncc(C(C)NC)c(C)n1
InChIInChI=1S/C14H25N3O/c1-7-14(5,18-8-2)13-16-9-12(10(3)15-6)11(4)17-13/h9-10,15H,7-8H2,1-6H3
InChIKeyIYPKIZRVBBUACV-UHFFFAOYSA-N
XLogP2.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanol
CID 116779034
(1S)-1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 103431973
(1R)-1-[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]ethanol
CID 103431278
1-[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 116731311
2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid
CID 116775070
1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 116778873
ethyl 2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylate
CID 102972538
1-[2-(2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 63891756
4-(difluoromethyl)-2-(2-ethoxybutan-2-yl)pyrimidin-5-amine
CID 114207291
1-(2-butan-2-yl-4-methylpyrimidin-5-yl)-N-methylethanamine
CID 63719459
2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine
CID 116776051
1-[2-(1-ethoxybutyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116731317

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]-N-methylethanamine (CID 116778892) is 1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]-N-methylethanamine is CCOC(C)(CC)c1ncc(C(C)NC)c(C)n1.
What is the InChIKey of 1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]-N-methylethanamine?
The InChIKey is IYPKIZRVBBUACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-7-14(5,18-8-2)13-16-9-12(10(3)15-6)11(4)17-13/h9-10,15H,7-8H2,1-6H3.
What are the key properties of 1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]-N-methylethanamine?
1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]-N-methylethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]-N-methylethanamine is sourced from PubChem (CID 116778892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).