(1S)-1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]ethanol

C13H22N2O2 — CID 103431456

IUPAC(1S)-1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]ethanol
SMILESCOC(c1ncc([C@H](C)O)c(C)n1)C(C)(C)C
InChIInChI=1S/C13H22N2O2/c1-8-10(9(2)16)7-14-12(15-8)11(17-6)13(3,4)5/h7,9,11,16H,1-6H3/t9-,11?/m0/s1
InChIKeySEWHUHDLKSWRPB-FTNKSUMCSA-N
MW238.33 g/mol
LogP2.57
Rot. Bonds3

About (1S)-1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]ethanol

(1S)-1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]ethanol (PubChem CID 103431456) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (1S)-1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]ethanol
PubChem CID103431456
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(1S)-1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]ethanol
SMILESCOC(c1ncc([C@H](C)O)c(C)n1)C(C)(C)C
InChIInChI=1S/C13H22N2O2/c1-8-10(9(2)16)7-14-12(15-8)11(17-6)13(3,4)5/h7,9,11,16H,1-6H3/t9-,11?/m0/s1
InChIKeySEWHUHDLKSWRPB-FTNKSUMCSA-N
XLogP2.57
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]ethanol?
The IUPAC name of (1S)-1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]ethanol (CID 103431456) is (1S)-1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]ethanol?
The canonical SMILES for (1S)-1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]ethanol is COC(c1ncc([C@H](C)O)c(C)n1)C(C)(C)C.
What is the InChIKey of (1S)-1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]ethanol?
The InChIKey is SEWHUHDLKSWRPB-FTNKSUMCSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8-10(9(2)16)7-14-12(15-8)11(17-6)13(3,4)5/h7,9,11,16H,1-6H3/t9-,11?/m0/s1.
What are the key properties of (1S)-1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]ethanol?
(1S)-1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]ethanol has a molecular weight of 238.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]ethanol is sourced from PubChem (CID 103431456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).