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

C13H16N2O — CID 5281087

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IUPAC3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol
SMILESCN1CCCN=C1/C=C/c1cccc(O)c1
InChIInChI=1S/C13H16N2O/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/b7-6+
InChIKeyVRYKTHBAWRESFI-VOTSOKGWSA-N
MW216.28 g/mol
LogP2.14
Rot. Bonds2

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

3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol (PubChem CID 5281087) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol.

Molecular Properties

Compound Name3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol
PubChem CID5281087
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol
SMILESCN1CCCN=C1/C=C/c1cccc(O)c1
InChIInChI=1S/C13H16N2O/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/b7-6+
InChIKeyVRYKTHBAWRESFI-VOTSOKGWSA-N
XLogP2.14
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxybenzylidene-1,2-dimethylimidazoline
CID 129858095
3-(1-Pentyl-4,5-dihydro-1h-imidazol-2-yl)phenol
CID 177866580
3-(1,4,5,6-Tetrahydropyrimidin-2-yl)phenol
CID 26966840
3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol
CID 37475
3-(1-Methylimidazolin-2-yl)phenol
CID 11423880
3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol;hydrochloride
CID 22161032
3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol;hydrochloride
CID 70361158
3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethyl]phenol
CID 102437518
N-ethyl-N'-[3-(3-hydroxyphenyl)propyl]-2-methylpropanimidamide
CID 123548806
3-hydroxy-N-[1-[2-methoxyethyl(methyl)amino]ethylidene]-N'-methylbenzenecarboximidamide
CID 123922710
4-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol
CID 135474616
4-(2-butyl-4H-pyrido[1,2-a]pyrimidin-3-yl)phenol
CID 141214888

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol?
The IUPAC name of 3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol (CID 5281087) is 3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol.
What is the SMILES notation for 3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol?
The canonical SMILES for 3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol is CN1CCCN=C1/C=C/c1cccc(O)c1.
What is the InChIKey of 3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol?
The InChIKey is VRYKTHBAWRESFI-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H16N2O/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/b7-6+.
What are the key properties of 3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol?
3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol has a molecular weight of 216.28 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 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 is sourced from PubChem (CID 5281087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).