1-(5-butoxypyrimidin-2-yl)ethanol

C10H16N2O2 — CID 170050824

IUPAC1-(5-butoxypyrimidin-2-yl)ethanol
SMILESCCCCOc1cnc(C(C)O)nc1
InChIInChI=1S/C10H16N2O2/c1-3-4-5-14-9-6-11-10(8(2)13)12-7-9/h6-8,13H,3-5H2,1-2H3
InChIKeyBAJCDBGPVMSJAD-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.71
Rot. Bonds5

About 1-(5-butoxypyrimidin-2-yl)ethanol

1-(5-butoxypyrimidin-2-yl)ethanol (PubChem CID 170050824) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(5-butoxypyrimidin-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-butoxypyrimidin-2-yl)ethanol
PubChem CID170050824
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(5-butoxypyrimidin-2-yl)ethanol
SMILESCCCCOc1cnc(C(C)O)nc1
InChIInChI=1S/C10H16N2O2/c1-3-4-5-14-9-6-11-10(8(2)13)12-7-9/h6-8,13H,3-5H2,1-2H3
InChIKeyBAJCDBGPVMSJAD-UHFFFAOYSA-N
XLogP1.71
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-propoxy-2-pyridinyl)ethanol
CID 174643637
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369
2-(5-butoxypyrimidin-2-yl)-2-methylpropan-1-ol;ethane
CID 168996406
(1R)-1-(4-nonoxyphenyl)ethanol
CID 78944579
(1R)-1-(4-octoxyphenyl)ethanol
CID 55223040
3-(2-propan-2-ylpyrimidin-5-yl)oxypropan-1-amine
CID 117229894
(1R)-1-(5-butoxy-2-pyridinyl)ethanamine
CID 83124335
5-butoxy-2-methylpyridine
CID 13154052
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
1-(5-pentoxy-2-pyridinyl)ethanamine
CID 83123207
1-(4-butoxyphenyl)-2-methylbutan-1-ol
CID 105116550
2-bromo-5-butoxypyridine
CID 87199523

Frequently Asked Questions

What is the IUPAC name of 1-(5-butoxypyrimidin-2-yl)ethanol?
The IUPAC name of 1-(5-butoxypyrimidin-2-yl)ethanol (CID 170050824) is 1-(5-butoxypyrimidin-2-yl)ethanol.
What is the SMILES notation for 1-(5-butoxypyrimidin-2-yl)ethanol?
The canonical SMILES for 1-(5-butoxypyrimidin-2-yl)ethanol is CCCCOc1cnc(C(C)O)nc1.
What is the InChIKey of 1-(5-butoxypyrimidin-2-yl)ethanol?
The InChIKey is BAJCDBGPVMSJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-4-5-14-9-6-11-10(8(2)13)12-7-9/h6-8,13H,3-5H2,1-2H3.
What are the key properties of 1-(5-butoxypyrimidin-2-yl)ethanol?
1-(5-butoxypyrimidin-2-yl)ethanol has a molecular weight of 196.25 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butoxypyrimidin-2-yl)ethanol is sourced from PubChem (CID 170050824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).