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

C12H16N2O — CID 20546355

IUPAC5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine
SMILESCOc1ccccc1C1CN=CN(C)C1
InChIInChI=1S/C12H16N2O/c1-14-8-10(7-13-9-14)11-5-3-4-6-12(11)15-2/h3-6,9-10H,7-8H2,1-2H3
InChIKeyYTYUWESECHCRQX-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.75
Rot. Bonds2

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

5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine (PubChem CID 20546355) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine
PubChem CID20546355
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine
SMILESCOc1ccccc1C1CN=CN(C)C1
InChIInChI=1S/C12H16N2O/c1-14-8-10(7-13-9-14)11-5-3-4-6-12(11)15-2/h3-6,9-10H,7-8H2,1-2H3
InChIKeyYTYUWESECHCRQX-UHFFFAOYSA-N
XLogP1.75
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-ethoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine
CID 20546333
5-(2-chlorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine
CID 20546126
5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 70508569
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
1-hydroxy-4-(2-methoxyphenyl)piperidine
CID 154170969
2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanamine
CID 23287971
4-(2-methoxyphenyl)-1-propylpiperidine
CID 71653734
1-cyclopentyl-3-(2-methoxyphenyl)pyrrolidine
CID 86814277
3-(2-methoxyphenyl)cyclopentan-1-ol
CID 64516267
(2R)-2-(2-methoxyphenyl)oxirane
CID 27776035
4-(2-methoxyphenyl)oxane
CID 121009799
4-(2-methoxyphenyl)piperidine
CID 544738

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine (CID 20546355) is 5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine is COc1ccccc1C1CN=CN(C)C1.
What is the InChIKey of 5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine?
The InChIKey is YTYUWESECHCRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14-8-10(7-13-9-14)11-5-3-4-6-12(11)15-2/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine?
5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine has a molecular weight of 204.27 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 20546355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).