2-(oxan-4-yl)-1-pyrimidin-2-ylethanol

C11H16N2O2 — CID 62608022

IUPAC2-(oxan-4-yl)-1-pyrimidin-2-ylethanol
SMILESOC(CC1CCOCC1)c1ncccn1
InChIInChI=1S/C11H16N2O2/c14-10(11-12-4-1-5-13-11)8-9-2-6-15-7-3-9/h1,4-5,9-10,14H,2-3,6-8H2
InChIKeyKDLRSKOCKUJEKH-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.33
Rot. Bonds3

About 2-(oxan-4-yl)-1-pyrimidin-2-ylethanol

2-(oxan-4-yl)-1-pyrimidin-2-ylethanol (PubChem CID 62608022) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1-pyrimidin-2-ylethanol.

Molecular Properties

Compound Name2-(oxan-4-yl)-1-pyrimidin-2-ylethanol
PubChem CID62608022
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(oxan-4-yl)-1-pyrimidin-2-ylethanol
SMILESOC(CC1CCOCC1)c1ncccn1
InChIInChI=1S/C11H16N2O2/c14-10(11-12-4-1-5-13-11)8-9-2-6-15-7-3-9/h1,4-5,9-10,14H,2-3,6-8H2
InChIKeyKDLRSKOCKUJEKH-UHFFFAOYSA-N
XLogP1.33
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-1-pyrimidin-2-ylethanol
CID 62608023
1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethanol
CID 79721741
1-(6-methyl-3-pyridinyl)-2-(oxan-4-yl)ethanol
CID 104823049
2-(oxan-4-ylmethyl)pyrimidine
CID 67123778
1-[3-(difluoromethyl)phenyl]-2-(oxan-4-yl)ethanol
CID 115527745
2-cyclopropyl-1-(3-methyl-2-pyridinyl)ethanol
CID 64904867
1-(oxan-4-yl)-N-(pyrimidin-2-ylmethyl)methanamine
CID 63712207
1-(oxan-4-yl)-2-pyridin-3-yloxyethanol
CID 117238948
N-methyl-2-(oxan-4-yl)-1-pyrazin-2-ylethanamine
CID 62600624
2-(oxan-4-ylmethyl)propane-1,3-diol
CID 79450518
1-(2-bromofuran-3-yl)-2-(oxan-4-yl)ethanol
CID 106859167
1-[4-(dimethylamino)phenyl]-2-(oxan-4-yl)ethanol
CID 65150488

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1-pyrimidin-2-ylethanol?
The IUPAC name of 2-(oxan-4-yl)-1-pyrimidin-2-ylethanol (CID 62608022) is 2-(oxan-4-yl)-1-pyrimidin-2-ylethanol.
What is the SMILES notation for 2-(oxan-4-yl)-1-pyrimidin-2-ylethanol?
The canonical SMILES for 2-(oxan-4-yl)-1-pyrimidin-2-ylethanol is OC(CC1CCOCC1)c1ncccn1.
What is the InChIKey of 2-(oxan-4-yl)-1-pyrimidin-2-ylethanol?
The InChIKey is KDLRSKOCKUJEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-10(11-12-4-1-5-13-11)8-9-2-6-15-7-3-9/h1,4-5,9-10,14H,2-3,6-8H2.
What are the key properties of 2-(oxan-4-yl)-1-pyrimidin-2-ylethanol?
2-(oxan-4-yl)-1-pyrimidin-2-ylethanol has a molecular weight of 208.26 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1-pyrimidin-2-ylethanol is sourced from PubChem (CID 62608022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).