(1S)-1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine

C13H23N3O — CID 103431973

IUPAC(1S)-1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCCOC(C)(CC)c1ncc([C@H](C)N)c(C)n1
InChIInChI=1S/C13H23N3O/c1-6-13(5,17-7-2)12-15-8-11(9(3)14)10(4)16-12/h8-9H,6-7,14H2,1-5H3/t9-,13?/m0/s1
InChIKeyHFQMDEDPCDUINY-LLTODGECSA-N
MW237.35 g/mol
LogP2.47
Rot. Bonds5

About (1S)-1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine

(1S)-1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine (PubChem CID 103431973) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (1S)-1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
PubChem CID103431973
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(1S)-1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCCOC(C)(CC)c1ncc([C@H](C)N)c(C)n1
InChIInChI=1S/C13H23N3O/c1-6-13(5,17-7-2)12-15-8-11(9(3)14)10(4)16-12/h8-9H,6-7,14H2,1-5H3/t9-,13?/m0/s1
InChIKeyHFQMDEDPCDUINY-LLTODGECSA-N
XLogP2.47
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 116778873
1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanol
CID 116779034
1-[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 116731311
1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116778892
ethyl 2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylate
CID 102972538
2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid
CID 116775070
4-(difluoromethyl)-2-(2-ethoxybutan-2-yl)pyrimidin-5-amine
CID 114207291
(1R)-1-[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]ethanol
CID 103431278
2-(2-ethoxybutan-2-yl)pyrimidine-5-carbaldehyde
CID 116778410
(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]ethanamine
CID 103476596
5-[(1R)-1-aminoethyl]-N,N-diethyl-4-methylpyrimidin-2-amine
CID 94587541
1-[2-(1-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine
CID 116731307

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine?
The IUPAC name of (1S)-1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine (CID 103431973) is (1S)-1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine?
The canonical SMILES for (1S)-1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine is CCOC(C)(CC)c1ncc([C@H](C)N)c(C)n1.
What is the InChIKey of (1S)-1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine?
The InChIKey is HFQMDEDPCDUINY-LLTODGECSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-13(5,17-7-2)12-15-8-11(9(3)14)10(4)16-12/h8-9H,6-7,14H2,1-5H3/t9-,13?/m0/s1.
What are the key properties of (1S)-1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine?
(1S)-1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine is sourced from PubChem (CID 103431973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).