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

C13H22N2O2 — CID 116779034

IUPAC1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanol
SMILESCCOC(C)(CC)c1ncc(C(C)O)c(C)n1
InChIInChI=1S/C13H22N2O2/c1-6-13(5,17-7-2)12-14-8-11(10(4)16)9(3)15-12/h8,10,16H,6-7H2,1-5H3
InChIKeyVWWQBYOPDYIAJN-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.50
Rot. Bonds5

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

1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanol (PubChem CID 116779034) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanol
PubChem CID116779034
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanol
SMILESCCOC(C)(CC)c1ncc(C(C)O)c(C)n1
InChIInChI=1S/C13H22N2O2/c1-6-13(5,17-7-2)12-14-8-11(10(4)16)9(3)15-12/h8,10,16H,6-7H2,1-5H3
InChIKeyVWWQBYOPDYIAJN-UHFFFAOYSA-N
XLogP2.50
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116778892
2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid
CID 116775070
ethyl 2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylate
CID 102972538
1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 116778873
1-[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 116731311
(1S)-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanol
CID 103431527
4-(difluoromethyl)-2-(2-ethoxybutan-2-yl)pyrimidin-5-amine
CID 114207291
1-[2-(2-ethoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 116775188
2-(2-ethoxybutan-2-yl)pyrimidine-5-carbaldehyde
CID 116778410
1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanone
CID 116778429

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanol?
The IUPAC name of 1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanol (CID 116779034) is 1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanol.
What is the SMILES notation for 1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanol?
The canonical SMILES for 1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanol is CCOC(C)(CC)c1ncc(C(C)O)c(C)n1.
What is the InChIKey of 1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanol?
The InChIKey is VWWQBYOPDYIAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-6-13(5,17-7-2)12-14-8-11(10(4)16)9(3)15-12/h8,10,16H,6-7H2,1-5H3.
What are the key properties of 1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanol?
1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanol has a molecular weight of 238.33 g/mol, XLogP of 2.50, 5 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]ethanol is sourced from PubChem (CID 116779034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).