1-[2-amino-2-(4-methoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-one

C15H19N3O2 — CID 16791728

IUPAC1-[2-amino-2-(4-methoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCOc1ccc(C(N)Cn2c(C)cc(C)nc2=O)cc1
InChIInChI=1S/C15H19N3O2/c1-10-8-11(2)18(15(19)17-10)9-14(16)12-4-6-13(20-3)7-5-12/h4-8,14H,9,16H2,1-3H3
InChIKeyQRXXRCHBGRTWCX-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.57
Rot. Bonds4

About 1-[2-amino-2-(4-methoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-one

1-[2-amino-2-(4-methoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 16791728) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[2-amino-2-(4-methoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(4-methoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-one
PubChem CID16791728
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[2-amino-2-(4-methoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCOc1ccc(C(N)Cn2c(C)cc(C)nc2=O)cc1
InChIInChI=1S/C15H19N3O2/c1-10-8-11(2)18(15(19)17-10)9-14(16)12-4-6-13(20-3)7-5-12/h4-8,14H,9,16H2,1-3H3
InChIKeyQRXXRCHBGRTWCX-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-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-one
CID 61224182
1-[(2-bromo-5-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-2-one
CID 65325926
3-[2-amino-2-(3-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63770404
1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one
CID 612085
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanamine
CID 64632910
1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one;hydrochloride
CID 5337650
3-[2-(4-methoxyphenyl)-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63769874
2-[2-amino-2-(4-methoxyphenyl)ethyl]pyridazin-3-one
CID 62849597
3-[2-amino-2-(4-fluorophenyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 107522652
3-[2-amino-2-(4-methoxyphenyl)ethyl]pyrimidin-4-one
CID 63767954
1-(3-chloro-2-hydroxypropyl)-4,6-dimethylpyrimidin-2-one
CID 112560032
3-[2-amino-2-(4-methoxyphenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64834711

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(4-methoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[2-amino-2-(4-methoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-one (CID 16791728) is 1-[2-amino-2-(4-methoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[2-amino-2-(4-methoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[2-amino-2-(4-methoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-one is COc1ccc(C(N)Cn2c(C)cc(C)nc2=O)cc1.
What is the InChIKey of 1-[2-amino-2-(4-methoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is QRXXRCHBGRTWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-8-11(2)18(15(19)17-10)9-14(16)12-4-6-13(20-3)7-5-12/h4-8,14H,9,16H2,1-3H3.
What are the key properties of 1-[2-amino-2-(4-methoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-one?
1-[2-amino-2-(4-methoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-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 1-[2-amino-2-(4-methoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 16791728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).