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

C12H18N2O2 — CID 103431417

IUPAC(1R)-1-[2-(1-methoxycyclobutyl)-4-methylpyrimidin-5-yl]ethanol
SMILESCOC1(c2ncc([C@@H](C)O)c(C)n2)CCC1
InChIInChI=1S/C12H18N2O2/c1-8-10(9(2)15)7-13-11(14-8)12(16-3)5-4-6-12/h7,9,15H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyZDPQVIBMLXTWOT-SECBINFHSA-N
MW222.29 g/mol
LogP1.86
Rot. Bonds3

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

(1R)-1-[2-(1-methoxycyclobutyl)-4-methylpyrimidin-5-yl]ethanol (PubChem CID 103431417) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (1R)-1-[2-(1-methoxycyclobutyl)-4-methylpyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(1-methoxycyclobutyl)-4-methylpyrimidin-5-yl]ethanol
PubChem CID103431417
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(1R)-1-[2-(1-methoxycyclobutyl)-4-methylpyrimidin-5-yl]ethanol
SMILESCOC1(c2ncc([C@@H](C)O)c(C)n2)CCC1
InChIInChI=1S/C12H18N2O2/c1-8-10(9(2)15)7-13-11(14-8)12(16-3)5-4-6-12/h7,9,15H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyZDPQVIBMLXTWOT-SECBINFHSA-N
XLogP1.86
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-(1-methoxycycloheptyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431656
(1R)-1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431253
2-(1-methoxycyclohexyl)-4-methylpyrimidine-5-carboxylic acid
CID 116775071
N-[[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 116731787
2-(1-methoxycyclobutyl)pyrimidin-5-amine
CID 116705146
2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 104611567
4-(difluoromethyl)-2-(1-methoxycyclobutyl)pyrimidine-5-carboxylic acid
CID 116728189
4-(dimethoxymethyl)-2-(1-methoxycyclobutyl)pyrimidine
CID 116731031
2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 113432871
1-[4-methyl-2-(1-phenylcyclobutyl)pyrimidin-5-yl]ethanamine
CID 63079527
N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 104611900
N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 104611902

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(1-methoxycyclobutyl)-4-methylpyrimidin-5-yl]ethanol?
The IUPAC name of (1R)-1-[2-(1-methoxycyclobutyl)-4-methylpyrimidin-5-yl]ethanol (CID 103431417) is (1R)-1-[2-(1-methoxycyclobutyl)-4-methylpyrimidin-5-yl]ethanol.
What is the SMILES notation for (1R)-1-[2-(1-methoxycyclobutyl)-4-methylpyrimidin-5-yl]ethanol?
The canonical SMILES for (1R)-1-[2-(1-methoxycyclobutyl)-4-methylpyrimidin-5-yl]ethanol is COC1(c2ncc([C@@H](C)O)c(C)n2)CCC1.
What is the InChIKey of (1R)-1-[2-(1-methoxycyclobutyl)-4-methylpyrimidin-5-yl]ethanol?
The InChIKey is ZDPQVIBMLXTWOT-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-10(9(2)15)7-13-11(14-8)12(16-3)5-4-6-12/h7,9,15H,4-6H2,1-3H3/t9-/m1/s1.
What are the key properties of (1R)-1-[2-(1-methoxycyclobutyl)-4-methylpyrimidin-5-yl]ethanol?
(1R)-1-[2-(1-methoxycyclobutyl)-4-methylpyrimidin-5-yl]ethanol has a molecular weight of 222.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(1-methoxycyclobutyl)-4-methylpyrimidin-5-yl]ethanol is sourced from PubChem (CID 103431417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).