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

C16H21N3O2 — CID 63769874

IUPAC3-[2-(4-methoxyphenyl)-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCNC(Cn1c(C)nc(C)cc1=O)c1ccc(OC)cc1
InChIInChI=1S/C16H21N3O2/c1-11-9-16(20)19(12(2)18-11)10-15(17-3)13-5-7-14(21-4)8-6-13/h5-9,15,17H,10H2,1-4H3
InChIKeyVVSHVHRGGJZMHB-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.83
Rot. Bonds5

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

3-[2-(4-methoxyphenyl)-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 63769874) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one
PubChem CID63769874
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-[2-(4-methoxyphenyl)-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCNC(Cn1c(C)nc(C)cc1=O)c1ccc(OC)cc1
InChIInChI=1S/C16H21N3O2/c1-11-9-16(20)19(12(2)18-11)10-15(17-3)13-5-7-14(21-4)8-6-13/h5-9,15,17H,10H2,1-4H3
InChIKeyVVSHVHRGGJZMHB-UHFFFAOYSA-N
XLogP1.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-[(2R)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one
CID 96672369
3-[2-amino-2-(2-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63769351
(1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 139630399
3-(2-amino-2-phenylethyl)-2,6-dimethylpyrimidin-4-one
CID 63768475
1-[2-amino-2-(4-methoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-one
CID 16791728
3-[2-(4-ethylphenyl)-2-hydroxyethyl]-2,6-dimethylpyrimidin-4-one
CID 63769037
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine
CID 102926592
3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63769350
2-chloro-1-(4-methoxyphenyl)-N-methylethanamine
CID 116952568

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-(4-methoxyphenyl)-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one (CID 63769874) is 3-[2-(4-methoxyphenyl)-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-(4-methoxyphenyl)-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one is CNC(Cn1c(C)nc(C)cc1=O)c1ccc(OC)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is VVSHVHRGGJZMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-9-16(20)19(12(2)18-11)10-15(17-3)13-5-7-14(21-4)8-6-13/h5-9,15,17H,10H2,1-4H3.
What are the key properties of 3-[2-(4-methoxyphenyl)-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
3-[2-(4-methoxyphenyl)-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 287.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 63769874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).