3-pyrimidin-2-yloxypropan-1-ol

C7H10N2O2 — CID 119093000

IUPAC3-pyrimidin-2-yloxypropan-1-ol
SMILESOCCCOc1ncccn1
InChIInChI=1S/C7H10N2O2/c10-5-2-6-11-7-8-3-1-4-9-7/h1,3-4,10H,2,5-6H2
InChIKeyGHJVZVIWCLAELO-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.24
Rot. Bonds4

About 3-pyrimidin-2-yloxypropan-1-ol

3-pyrimidin-2-yloxypropan-1-ol (PubChem CID 119093000) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-pyrimidin-2-yloxypropan-1-ol.

Molecular Properties

Compound Name3-pyrimidin-2-yloxypropan-1-ol
PubChem CID119093000
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-pyrimidin-2-yloxypropan-1-ol
SMILESOCCCOc1ncccn1
InChIInChI=1S/C7H10N2O2/c10-5-2-6-11-7-8-3-1-4-9-7/h1,3-4,10H,2,5-6H2
InChIKeyGHJVZVIWCLAELO-UHFFFAOYSA-N
XLogP0.24
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.24
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

2-(2-pyrimidin-2-yloxyethoxy)pyrimidine
CID 172699862
2-sulfanyloxypyrimidine
CID 19387748
3-[(3-bromo-2-pyridinyl)oxy]propan-1-ol
CID 61375068
3-(4-pyrimidin-2-yloxyphenyl)propan-1-ol
CID 54511340
7-pyridin-2-yloxyheptan-1-ol
CID 22675453
8-pyridin-2-yloxyoctan-1-ol
CID 22675460
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]propan-1-ol
CID 62870657
5-[(2-amino-3-pyridinyl)oxy]pentan-1-ol
CID 62229508
2-[2-(4-phenoxyphenoxy)ethoxy]pyrimidine
CID 13386761
4-[(3-methoxy-2-pyridinyl)oxy]butan-1-ol
CID 57264913
3-(2,6-difluorophenoxy)propan-1-ol
CID 112728266
6-(5-aminoquinolin-8-yl)oxyhexan-1-ol
CID 107702002

Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-2-yloxypropan-1-ol?
The IUPAC name of 3-pyrimidin-2-yloxypropan-1-ol (CID 119093000) is 3-pyrimidin-2-yloxypropan-1-ol.
What is the SMILES notation for 3-pyrimidin-2-yloxypropan-1-ol?
The canonical SMILES for 3-pyrimidin-2-yloxypropan-1-ol is OCCCOc1ncccn1.
What is the InChIKey of 3-pyrimidin-2-yloxypropan-1-ol?
The InChIKey is GHJVZVIWCLAELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c10-5-2-6-11-7-8-3-1-4-9-7/h1,3-4,10H,2,5-6H2.
What are the key properties of 3-pyrimidin-2-yloxypropan-1-ol?
3-pyrimidin-2-yloxypropan-1-ol has a molecular weight of 154.17 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-2-yloxypropan-1-ol is sourced from PubChem (CID 119093000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).