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

C26H32N4O2 — CID 156610539

IUPAC3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol
SMILESCN1CCCN=C1/C=C/c1cccc(O)c1.CN1CCCN=C1/C=C/c1cccc(O)c1
InChIInChI=1S/2C13H16N2O/c2*1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11/h2*2,4-7,10,16H,3,8-9H2,1H3/b2*7-6+
InChIKeyRVCKGFCBEYKKFX-YIKKBJQVSA-N
MW432.57 g/mol
LogP4.28
Rot. Bonds4

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 156610539) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 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 CID156610539
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol
SMILESCN1CCCN=C1/C=C/c1cccc(O)c1.CN1CCCN=C1/C=C/c1cccc(O)c1
InChIInChI=1S/2C13H16N2O/c2*1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11/h2*2,4-7,10,16H,3,8-9H2,1H3/b2*7-6+
InChIKeyRVCKGFCBEYKKFX-YIKKBJQVSA-N
XLogP4.28
TPSA71.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-2-hydroxynaphthalene-1-carboxylic acid;3-[(Z)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol
CID 6604571
3-[(E)-2-(8-chloro-1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]phenol;hydrochloride
CID 22742277
2-[(Z)-2-(2-methoxynaphthalen-1-yl)ethenyl]-1-methyl-5,6-dihydro-4H-pyrimidine
CID 10446399
1-(3-hydroxyphenyl)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethanone
CID 10353881
3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
CID 159541553
3-[(E)-2-chloroethenyl]phenol
CID 131239528
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
3-[(Z)-2-aminoprop-1-enyl]phenol
CID 145337381
3-(2-methoxyethenyl)phenol
CID 175460679
3-[(Z)-2-pyridin-3-ylethenyl]phenol
CID 70505429
3-[(E)-2-bromoethenyl]phenol
CID 74892827
3-[(E)-2-(4-fluorophenyl)ethenyl]phenol
CID 124660787

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 156610539) 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.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 RVCKGFCBEYKKFX-YIKKBJQVSA-N. The full InChI is InChI=1S/2C13H16N2O/c2*1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11/h2*2,4-7,10,16H,3,8-9H2,1H3/b2*7-6+.
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 432.57 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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 156610539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).