3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol;hydrochloride

C13H17ClN2O — CID 22161032

IUPAC3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol;hydrochloride
SMILESCN1CCCN=C1/C=C/C2=CC(=CC=C2)O.Cl
InChIInChI=1S/C13H16N2O.ClH/c1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11;/h2,4-7,10,16H,3,8-9H2,1H3;1H/b7-6+;
InChIKeyGFGNOEAYBYDCJM-UHDJGPCESA-N
MW252.74 g/mol
LogP—
Rot. Bonds2

About 3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol;hydrochloride

3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol;hydrochloride (PubChem CID 22161032) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol;hydrochloride
PubChem CID22161032
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol;hydrochloride
SMILESCN1CCCN=C1/C=C/C2=CC(=CC=C2)O.Cl
InChIInChI=1S/C13H16N2O.ClH/c1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11;/h2,4-7,10,16H,3,8-9H2,1H3;1H/b7-6+;
InChIKeyGFGNOEAYBYDCJM-UHDJGPCESA-N
XLogP—
TPSA35.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity286

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol;hydrochloride?
The IUPAC name of 3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol;hydrochloride (CID 22161032) is 3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol;hydrochloride.
What is the SMILES notation for 3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol;hydrochloride?
The canonical SMILES for 3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol;hydrochloride is CN1CCCN=C1/C=C/C2=CC(=CC=C2)O.Cl.
What is the InChIKey of 3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol;hydrochloride?
The InChIKey is GFGNOEAYBYDCJM-UHDJGPCESA-N. The full InChI is InChI=1S/C13H16N2O.ClH/c1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11;/h2,4-7,10,16H,3,8-9H2,1H3;1H/b7-6+;.
What are the key properties of 3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol;hydrochloride?
3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol;hydrochloride has a molecular weight of 252.74 g/mol, XLogP of not available, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol;hydrochloride is sourced from PubChem (CID 22161032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).