2-(3,4-dimethoxyphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one

C14H17N3O3 — CID 135978185

IUPAC2-(3,4-dimethoxyphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCNCc1cc(=O)[nH]c(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C14H17N3O3/c1-15-8-10-7-13(18)17-14(16-10)9-4-5-11(19-2)12(6-9)20-3/h4-7,15H,8H2,1-3H3,(H,16,17,18)
InChIKeyACCBWGFXSOLOHE-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.17
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one

2-(3,4-dimethoxyphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 135978185) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
PubChem CID135978185
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-(3,4-dimethoxyphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCNCc1cc(=O)[nH]c(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C14H17N3O3/c1-15-8-10-7-13(18)17-14(16-10)9-4-5-11(19-2)12(6-9)20-3/h4-7,15H,8H2,1-3H3,(H,16,17,18)
InChIKeyACCBWGFXSOLOHE-UHFFFAOYSA-N
XLogP1.17
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluoro-4-methylphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978384
4-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one
CID 135978433
2-(3-bromo-4-methoxyphenyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136827172
2-(3-fluorophenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978440
4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one
CID 136938663
2-(4-fluoro-3-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136889663
2-(4-fluoro-3-methoxyphenyl)-4-propyl-1H-pyrimidin-6-one
CID 136889657
2-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one
CID 43654596
1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine
CID 62748617
1-[6-(3,4-dimethoxyphenyl)-2-methyl-3-pyridinyl]-N-methylmethanamine
CID 82453268
2-(3,4-dimethoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63611423
5-bromo-2-(3,4-dimethoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66286164

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one (CID 135978185) is 2-(3,4-dimethoxyphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one is CNCc1cc(=O)[nH]c(-c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is ACCBWGFXSOLOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-15-8-10-7-13(18)17-14(16-10)9-4-5-11(19-2)12(6-9)20-3/h4-7,15H,8H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one?
2-(3,4-dimethoxyphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 275.31 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135978185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).