3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpyrimidin-4-one

C16H21N3O2 — CID 63769350

IUPAC3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCOc1ccc(C)cc1C(N)Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C16H21N3O2/c1-10-5-6-15(21-4)13(7-10)14(17)9-19-12(3)18-11(2)8-16(19)20/h5-8,14H,9,17H2,1-4H3
InChIKeyQLGMZTCUKZFAGN-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.88
Rot. Bonds4

About 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpyrimidin-4-one

3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 63769350) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
PubChem CID63769350
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCOc1ccc(C)cc1C(N)Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C16H21N3O2/c1-10-5-6-15(21-4)13(7-10)14(17)9-19-12(3)18-11(2)8-16(19)20/h5-8,14H,9,17H2,1-4H3
InChIKeyQLGMZTCUKZFAGN-UHFFFAOYSA-N
XLogP1.88
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-amino-2-(2-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63769351
3-[2-amino-2-(3-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63770404
1-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79178956
1-(2-methoxy-5-methylphenyl)-2-(4-methylpyrazol-1-yl)ethanamine
CID 60872721
3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212246
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
5-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]-2-methoxybenzenecarbothioamide
CID 65344331
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
methyl 2-bromo-3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoate
CID 81098959
1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 64649606
3-amino-3-(2-methoxy-5-methylphenyl)propanehydrazide
CID 116848730
2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 53201660

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpyrimidin-4-one (CID 63769350) is 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpyrimidin-4-one is COc1ccc(C)cc1C(N)Cn1c(C)nc(C)cc1=O.
What is the InChIKey of 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is QLGMZTCUKZFAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-5-6-15(21-4)13(7-10)14(17)9-19-12(3)18-11(2)8-16(19)20/h5-8,14H,9,17H2,1-4H3.
What are the key properties of 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpyrimidin-4-one?
3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 287.36 g/mol, XLogP of 1.88, 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-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 63769350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).