3-(2-ethoxypyrimidin-5-yl)prop-2-en-1-ol

C9H12N2O2 — CID 169453301

IUPAC3-(2-ethoxypyrimidin-5-yl)prop-2-en-1-ol
SMILESCCOc1ncc(C=CCO)cn1
InChIInChI=1S/C9H12N2O2/c1-2-13-9-10-6-8(7-11-9)4-3-5-12/h3-4,6-7,12H,2,5H2,1H3
InChIKeyNOHKICQZKWUWLR-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.88
Rot. Bonds4

About 3-(2-ethoxypyrimidin-5-yl)prop-2-en-1-ol

3-(2-ethoxypyrimidin-5-yl)prop-2-en-1-ol (PubChem CID 169453301) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-(2-ethoxypyrimidin-5-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(2-ethoxypyrimidin-5-yl)prop-2-en-1-ol
PubChem CID169453301
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-(2-ethoxypyrimidin-5-yl)prop-2-en-1-ol
SMILESCCOc1ncc(C=CCO)cn1
InChIInChI=1S/C9H12N2O2/c1-2-13-9-10-6-8(7-11-9)4-3-5-12/h3-4,6-7,12H,2,5H2,1H3
InChIKeyNOHKICQZKWUWLR-UHFFFAOYSA-N
XLogP0.88
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxypyrimidin-5-yl)prop-2-en-1-ol?
The IUPAC name of 3-(2-ethoxypyrimidin-5-yl)prop-2-en-1-ol (CID 169453301) is 3-(2-ethoxypyrimidin-5-yl)prop-2-en-1-ol.
What is the SMILES notation for 3-(2-ethoxypyrimidin-5-yl)prop-2-en-1-ol?
The canonical SMILES for 3-(2-ethoxypyrimidin-5-yl)prop-2-en-1-ol is CCOc1ncc(C=CCO)cn1.
What is the InChIKey of 3-(2-ethoxypyrimidin-5-yl)prop-2-en-1-ol?
The InChIKey is NOHKICQZKWUWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-13-9-10-6-8(7-11-9)4-3-5-12/h3-4,6-7,12H,2,5H2,1H3.
What are the key properties of 3-(2-ethoxypyrimidin-5-yl)prop-2-en-1-ol?
3-(2-ethoxypyrimidin-5-yl)prop-2-en-1-ol has a molecular weight of 180.21 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxypyrimidin-5-yl)prop-2-en-1-ol is sourced from PubChem (CID 169453301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).