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

C15H19N3O2 — CID 63770404

IUPAC3-[2-amino-2-(3-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCOc1cccc(C(N)Cn2c(C)nc(C)cc2=O)c1
InChIInChI=1S/C15H19N3O2/c1-10-7-15(19)18(11(2)17-10)9-14(16)12-5-4-6-13(8-12)20-3/h4-8,14H,9,16H2,1-3H3
InChIKeyBFQYQRFLZMSLRQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.57
Rot. Bonds4

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

3-[2-amino-2-(3-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 63770404) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[2-amino-2-(3-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-amino-2-(3-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
PubChem CID63770404
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[2-amino-2-(3-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCOc1cccc(C(N)Cn2c(C)nc(C)cc2=O)c1
InChIInChI=1S/C15H19N3O2/c1-10-7-15(19)18(11(2)17-10)9-14(16)12-5-4-6-13(8-12)20-3/h4-8,14H,9,16H2,1-3H3
InChIKeyBFQYQRFLZMSLRQ-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-amino-2-phenylethyl)-2,6-dimethylpyrimidin-4-one
CID 63768475
3-[2-amino-2-(2-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63769351
3-[2-amino-2-(4-fluorophenyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 107522652
3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63769350
3-[2-(4-methoxyphenyl)-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63769874
3-[(2R)-2-aminopropyl]-2,6-dimethylpyrimidin-4-one
CID 103934813
1-[2-amino-2-(4-methoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-one
CID 16791728
1-[2-amino-2-(3-methoxyphenyl)ethyl]-3-methylimidazol-2-one
CID 80580468
2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine
CID 16641645
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
methyl 2-bromo-3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoate
CID 81098959
3-[2-amino-2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-one
CID 61224182

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(3-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-amino-2-(3-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one (CID 63770404) is 3-[2-amino-2-(3-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-amino-2-(3-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-amino-2-(3-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one is COc1cccc(C(N)Cn2c(C)nc(C)cc2=O)c1.
What is the InChIKey of 3-[2-amino-2-(3-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is BFQYQRFLZMSLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-7-15(19)18(11(2)17-10)9-14(16)12-5-4-6-13(8-12)20-3/h4-8,14H,9,16H2,1-3H3.
What are the key properties of 3-[2-amino-2-(3-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one?
3-[2-amino-2-(3-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-(3-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 63770404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).