3-[2-amino-2-(2-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one

C15H19N3O2 — CID 63769351

IUPAC3-[2-amino-2-(2-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCOc1ccccc1C(N)Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C15H19N3O2/c1-10-8-15(19)18(11(2)17-10)9-13(16)12-6-4-5-7-14(12)20-3/h4-8,13H,9,16H2,1-3H3
InChIKeyBYDFCRWNZMQIBQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.57
Rot. Bonds4

About 3-[2-amino-2-(2-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one

3-[2-amino-2-(2-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 63769351) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[2-amino-2-(2-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-amino-2-(2-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
PubChem CID63769351
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[2-amino-2-(2-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCOc1ccccc1C(N)Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C15H19N3O2/c1-10-8-15(19)18(11(2)17-10)9-13(16)12-6-4-5-7-14(12)20-3/h4-8,13H,9,16H2,1-3H3
InChIKeyBYDFCRWNZMQIBQ-UHFFFAOYSA-N
XLogP1.57
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63769350
3-(2-amino-2-phenylethyl)-2,6-dimethylpyrimidin-4-one
CID 63768475
3-[2-amino-2-(3-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63770404
3-[2-amino-2-(4-fluorophenyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 107522652
3-[(2R)-2-aminopropyl]-2,6-dimethylpyrimidin-4-one
CID 103934813
2-[2-amino-2-(2-methoxyphenyl)ethyl]pyridazin-3-one
CID 62850491
1-[2-amino-2-(2-methoxyphenyl)ethyl]pyrrolidine-2,5-dione
CID 16781666
3-[2-(4-methoxyphenyl)-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63769874
3-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-one
CID 63769907
2-methoxy-3-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-one
CID 79370736
5-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]-2-methoxybenzenecarbothioamide
CID 65344331
3-[2-amino-2-(2-methoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212262

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(2-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-amino-2-(2-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one (CID 63769351) is 3-[2-amino-2-(2-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-amino-2-(2-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-amino-2-(2-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one is COc1ccccc1C(N)Cn1c(C)nc(C)cc1=O.
What is the InChIKey of 3-[2-amino-2-(2-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is BYDFCRWNZMQIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-8-15(19)18(11(2)17-10)9-13(16)12-6-4-5-7-14(12)20-3/h4-8,13H,9,16H2,1-3H3.
What are the key properties of 3-[2-amino-2-(2-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one?
3-[2-amino-2-(2-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 273.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(2-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 63769351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).