(E)-3-(4-ethylpyrimidin-5-yl)prop-2-en-1-ol

C9H12N2O — CID 59484693

IUPAC(E)-3-(4-ethylpyrimidin-5-yl)prop-2-en-1-ol
SMILESCCc1ncncc1/C=C/CO
InChIInChI=1S/C9H12N2O/c1-2-9-8(4-3-5-12)6-10-7-11-9/h3-4,6-7,12H,2,5H2,1H3/b4-3+
InChIKeyAIHFTXKVZUJQEX-ONEGZZNKSA-N
MW164.21 g/mol
LogP1.04
Rot. Bonds3

About (E)-3-(4-ethylpyrimidin-5-yl)prop-2-en-1-ol

(E)-3-(4-ethylpyrimidin-5-yl)prop-2-en-1-ol (PubChem CID 59484693) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (E)-3-(4-ethylpyrimidin-5-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(4-ethylpyrimidin-5-yl)prop-2-en-1-ol
PubChem CID59484693
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(E)-3-(4-ethylpyrimidin-5-yl)prop-2-en-1-ol
SMILESCCc1ncncc1/C=C/CO
InChIInChI=1S/C9H12N2O/c1-2-9-8(4-3-5-12)6-10-7-11-9/h3-4,6-7,12H,2,5H2,1H3/b4-3+
InChIKeyAIHFTXKVZUJQEX-ONEGZZNKSA-N
XLogP1.04
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethylpyrimidin-5-yl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(4-ethylpyrimidin-5-yl)prop-2-en-1-ol (CID 59484693) is (E)-3-(4-ethylpyrimidin-5-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(4-ethylpyrimidin-5-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(4-ethylpyrimidin-5-yl)prop-2-en-1-ol is CCc1ncncc1/C=C/CO.
What is the InChIKey of (E)-3-(4-ethylpyrimidin-5-yl)prop-2-en-1-ol?
The InChIKey is AIHFTXKVZUJQEX-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-9-8(4-3-5-12)6-10-7-11-9/h3-4,6-7,12H,2,5H2,1H3/b4-3+.
What are the key properties of (E)-3-(4-ethylpyrimidin-5-yl)prop-2-en-1-ol?
(E)-3-(4-ethylpyrimidin-5-yl)prop-2-en-1-ol has a molecular weight of 164.21 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethylpyrimidin-5-yl)prop-2-en-1-ol is sourced from PubChem (CID 59484693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).