5-(2-ethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine

C13H18N2O — CID 20546333

IUPAC5-(2-ethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine
SMILESCCOc1ccccc1C1CN=CN(C)C1
InChIInChI=1S/C13H18N2O/c1-3-16-13-7-5-4-6-12(13)11-8-14-10-15(2)9-11/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyKZKMMTKJGHVOKY-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.14
Rot. Bonds3

About 5-(2-ethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine

5-(2-ethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine (PubChem CID 20546333) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine
PubChem CID20546333
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name5-(2-ethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine
SMILESCCOc1ccccc1C1CN=CN(C)C1
InChIInChI=1S/C13H18N2O/c1-3-16-13-7-5-4-6-12(13)11-8-14-10-15(2)9-11/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyKZKMMTKJGHVOKY-UHFFFAOYSA-N
XLogP2.14
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine
CID 20546355
5-(2-chlorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine
CID 20546126
1-ethoxy-2-(4-methoxycyclohexyl)benzene
CID 171646591
5-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 79510801
2-(2-ethoxyphenyl)-4,4-dimethyl-1,3-oxazolidine
CID 82114526
cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236728
(2R)-2-(2-ethoxyphenyl)azetidine
CID 131015812
cis-(1R,2R)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236736
3-(2-ethoxyphenyl)cycloheptan-1-amine
CID 64505330
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-ethoxyphenyl)piperidine
CID 58772230
3-(2-ethoxyphenyl)-1-methyl-4-nitropyrrolidine
CID 134162661
2-(2-ethoxyphenyl)morpholine-4-carbaldehyde
CID 87254384

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 5-(2-ethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine (CID 20546333) is 5-(2-ethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 5-(2-ethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 5-(2-ethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine is CCOc1ccccc1C1CN=CN(C)C1.
What is the InChIKey of 5-(2-ethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine?
The InChIKey is KZKMMTKJGHVOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-16-13-7-5-4-6-12(13)11-8-14-10-15(2)9-11/h4-7,10-11H,3,8-9H2,1-2H3.
What are the key properties of 5-(2-ethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine?
5-(2-ethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine has a molecular weight of 218.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 20546333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).