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

C12H20N2O2 — CID 103431278

IUPAC(1R)-1-[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]ethanol
SMILESCCOC(C)(C)c1ncc([C@@H](C)O)c(C)n1
InChIInChI=1S/C12H20N2O2/c1-6-16-12(4,5)11-13-7-10(9(3)15)8(2)14-11/h7,9,15H,6H2,1-5H3/t9-/m1/s1
InChIKeyWWCVHDJZULMHKT-SECBINFHSA-N
MW224.30 g/mol
LogP2.11
Rot. Bonds4

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

(1R)-1-[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]ethanol (PubChem CID 103431278) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (1R)-1-[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]ethanol
PubChem CID103431278
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(1R)-1-[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]ethanol
SMILESCCOC(C)(C)c1ncc([C@@H](C)O)c(C)n1
InChIInChI=1S/C12H20N2O2/c1-6-16-12(4,5)11-13-7-10(9(3)15)8(2)14-11/h7,9,15H,6H2,1-5H3/t9-/m1/s1
InChIKeyWWCVHDJZULMHKT-SECBINFHSA-N
XLogP2.11
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]ethanol?
The IUPAC name of (1R)-1-[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]ethanol (CID 103431278) is (1R)-1-[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]ethanol.
What is the SMILES notation for (1R)-1-[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]ethanol?
The canonical SMILES for (1R)-1-[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]ethanol is CCOC(C)(C)c1ncc([C@@H](C)O)c(C)n1.
What is the InChIKey of (1R)-1-[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]ethanol?
The InChIKey is WWCVHDJZULMHKT-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-6-16-12(4,5)11-13-7-10(9(3)15)8(2)14-11/h7,9,15H,6H2,1-5H3/t9-/m1/s1.
What are the key properties of (1R)-1-[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]ethanol?
(1R)-1-[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]ethanol has a molecular weight of 224.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]ethanol is sourced from PubChem (CID 103431278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).