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

C14H17N3O2 — CID 61224182

IUPAC3-[2-amino-2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-one
SMILESCOc1ccc(C(N)Cn2cnc(C)cc2=O)cc1
InChIInChI=1S/C14H17N3O2/c1-10-7-14(18)17(9-16-10)8-13(15)11-3-5-12(19-2)6-4-11/h3-7,9,13H,8,15H2,1-2H3
InChIKeyIOTOXBINNKSKAS-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.26
Rot. Bonds4

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

3-[2-amino-2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-one (PubChem CID 61224182) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[2-amino-2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-amino-2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-one
PubChem CID61224182
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[2-amino-2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-one
SMILESCOc1ccc(C(N)Cn2cnc(C)cc2=O)cc1
InChIInChI=1S/C14H17N3O2/c1-10-7-14(18)17(9-16-10)8-13(15)11-3-5-12(19-2)6-4-11/h3-7,9,13H,8,15H2,1-2H3
InChIKeyIOTOXBINNKSKAS-UHFFFAOYSA-N
XLogP1.26
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-amino-2-(3,4-dimethylphenyl)ethyl]-6-methylpyrimidin-4-one
CID 61224748
3-[2-amino-2-(4-methoxyphenyl)ethyl]pyrimidin-4-one
CID 63767954
3-(2-amino-2-naphthalen-1-ylethyl)-6-methylpyrimidin-4-one
CID 61224940
1-[2-amino-2-(4-methoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-one
CID 16791728
3-[2-amino-2-(2,5-difluorophenyl)ethyl]-6-methylpyrimidin-4-one
CID 107522329
1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylimidazol-2-one
CID 80581913
2-[2-amino-2-(4-methoxyphenyl)ethyl]pyridazin-3-one
CID 62849597
1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine
CID 82291368
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
(1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 30814031
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 3-[2-amino-2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[2-amino-2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-one (CID 61224182) is 3-[2-amino-2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[2-amino-2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[2-amino-2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-one is COc1ccc(C(N)Cn2cnc(C)cc2=O)cc1.
What is the InChIKey of 3-[2-amino-2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-one?
The InChIKey is IOTOXBINNKSKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-7-14(18)17(9-16-10)8-13(15)11-3-5-12(19-2)6-4-11/h3-7,9,13H,8,15H2,1-2H3.
What are the key properties of 3-[2-amino-2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-one?
3-[2-amino-2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-one has a molecular weight of 259.31 g/mol, XLogP of 1.26, 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-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 61224182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).