3-[2-amino-2-(3,4-dimethylphenyl)ethyl]-6-methylpyrimidin-4-one

C15H19N3O — CID 61224748

IUPAC3-[2-amino-2-(3,4-dimethylphenyl)ethyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(N)c2ccc(C)c(C)c2)cn1
InChIInChI=1S/C15H19N3O/c1-10-4-5-13(6-11(10)2)14(16)8-18-9-17-12(3)7-15(18)19/h4-7,9,14H,8,16H2,1-3H3
InChIKeyILIHPAZNUMWWNX-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.87
Rot. Bonds3

About 3-[2-amino-2-(3,4-dimethylphenyl)ethyl]-6-methylpyrimidin-4-one

3-[2-amino-2-(3,4-dimethylphenyl)ethyl]-6-methylpyrimidin-4-one (PubChem CID 61224748) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[2-amino-2-(3,4-dimethylphenyl)ethyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-amino-2-(3,4-dimethylphenyl)ethyl]-6-methylpyrimidin-4-one
PubChem CID61224748
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[2-amino-2-(3,4-dimethylphenyl)ethyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(N)c2ccc(C)c(C)c2)cn1
InChIInChI=1S/C15H19N3O/c1-10-4-5-13(6-11(10)2)14(16)8-18-9-17-12(3)7-15(18)19/h4-7,9,14H,8,16H2,1-3H3
InChIKeyILIHPAZNUMWWNX-UHFFFAOYSA-N
XLogP1.87
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-amino-2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-one
CID 61224182
2-(4,5-dimethylimidazol-1-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 62350731
3-(2-amino-2-naphthalen-1-ylethyl)-6-methylpyrimidin-4-one
CID 61224940
3-[2-amino-2-(2,5-difluorophenyl)ethyl]-6-methylpyrimidin-4-one
CID 107522329
1-(3,4-dimethylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
CID 43211502
2-[2-amino-2-(3,4-dimethylphenyl)ethyl]-5-(dimethylamino)pyridazin-3-one
CID 114394568
1-[2-amino-2-(3,4-dimethylphenyl)ethyl]azepane-2,7-dione
CID 43447586
1-(3,4-dimethylphenyl)-2-pyrazol-1-ylethanamine
CID 16643554
1-[4-[2-amino-2-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]ethanone
CID 18069751
3-[2-hydroxy-3-(propylamino)propyl]-6-methylpyrimidin-4-one
CID 61224753
6-[amino-(3,4-dimethylphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one
CID 82442346
1-(3,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanamine
CID 62351977

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(3,4-dimethylphenyl)ethyl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[2-amino-2-(3,4-dimethylphenyl)ethyl]-6-methylpyrimidin-4-one (CID 61224748) is 3-[2-amino-2-(3,4-dimethylphenyl)ethyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[2-amino-2-(3,4-dimethylphenyl)ethyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[2-amino-2-(3,4-dimethylphenyl)ethyl]-6-methylpyrimidin-4-one is Cc1cc(=O)n(CC(N)c2ccc(C)c(C)c2)cn1.
What is the InChIKey of 3-[2-amino-2-(3,4-dimethylphenyl)ethyl]-6-methylpyrimidin-4-one?
The InChIKey is ILIHPAZNUMWWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-4-5-13(6-11(10)2)14(16)8-18-9-17-12(3)7-15(18)19/h4-7,9,14H,8,16H2,1-3H3.
What are the key properties of 3-[2-amino-2-(3,4-dimethylphenyl)ethyl]-6-methylpyrimidin-4-one?
3-[2-amino-2-(3,4-dimethylphenyl)ethyl]-6-methylpyrimidin-4-one has a molecular weight of 257.34 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(3,4-dimethylphenyl)ethyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 61224748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).