2-(4-ethoxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine

C13H18N2O2 — CID 82243218

IUPAC2-(4-ethoxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
SMILESCCOc1ccc(C2=NCCCN2)cc1OC
InChIInChI=1S/C13H18N2O2/c1-3-17-11-6-5-10(9-12(11)16-2)13-14-7-4-8-15-13/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyICTTXIPDNGHMNM-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.83
Rot. Bonds4

About 2-(4-ethoxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine

2-(4-ethoxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 82243218) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(4-ethoxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-(4-ethoxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
PubChem CID82243218
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(4-ethoxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
SMILESCCOc1ccc(C2=NCCCN2)cc1OC
InChIInChI=1S/C13H18N2O2/c1-3-17-11-6-5-10(9-12(11)16-2)13-14-7-4-8-15-13/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyICTTXIPDNGHMNM-UHFFFAOYSA-N
XLogP1.83
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[2-fluoro-3-[[2-methoxy-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]methyl]phenyl]methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine;dihydrochloride
CID 162469308
2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]propoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 90664413
2-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 90664911
2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252898
2-[2-methoxy-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 82240436
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 110538768
4-(4,5-dihydro-1H-imidazol-2-yl)-2-ethoxyphenol
CID 136822415
2-[3-methoxy-4-[(2-methoxyphenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82239905
2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole
CID 82252921
3-[[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]methyl]-N,N-dimethylaniline
CID 82240251
2-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82240282
5-(4-ethoxy-3-methoxyphenyl)-1H-pyrazol-3-amine
CID 3480116

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-(4-ethoxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine (CID 82243218) is 2-(4-ethoxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-(4-ethoxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-(4-ethoxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine is CCOc1ccc(C2=NCCCN2)cc1OC.
What is the InChIKey of 2-(4-ethoxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is ICTTXIPDNGHMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-17-11-6-5-10(9-12(11)16-2)13-14-7-4-8-15-13/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-ethoxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine?
2-(4-ethoxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine has a molecular weight of 234.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 82243218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).