4-ethyl-2-[6-[(3-fluoro-4-methylphenyl)methyl-methylamino]-3-pyridinyl]-1H-pyrimidin-6-one

C20H21FN4O — CID 137269458

IUPAC4-ethyl-2-[6-[(3-fluoro-4-methylphenyl)methyl-methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(N(C)Cc3ccc(C)c(F)c3)nc2)n1
InChIInChI=1S/C20H21FN4O/c1-4-16-10-19(26)24-20(23-16)15-7-8-18(22-11-15)25(3)12-14-6-5-13(2)17(21)9-14/h5-11H,4,12H2,1-3H3,(H,23,24,26)
InChIKeyZYNKTSVLFBHWRF-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.48
Rot. Bonds5

About 4-ethyl-2-[6-[(3-fluoro-4-methylphenyl)methyl-methylamino]-3-pyridinyl]-1H-pyrimidin-6-one

4-ethyl-2-[6-[(3-fluoro-4-methylphenyl)methyl-methylamino]-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 137269458) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 4-ethyl-2-[6-[(3-fluoro-4-methylphenyl)methyl-methylamino]-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[6-[(3-fluoro-4-methylphenyl)methyl-methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID137269458
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name4-ethyl-2-[6-[(3-fluoro-4-methylphenyl)methyl-methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(N(C)Cc3ccc(C)c(F)c3)nc2)n1
InChIInChI=1S/C20H21FN4O/c1-4-16-10-19(26)24-20(23-16)15-7-8-18(22-11-15)25(3)12-14-6-5-13(2)17(21)9-14/h5-11H,4,12H2,1-3H3,(H,23,24,26)
InChIKeyZYNKTSVLFBHWRF-UHFFFAOYSA-N
XLogP3.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-[1-benzofuran-2-ylmethyl(methyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137263151
2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 137269939
2-[6-[3-[(3,4-difluorophenyl)methyl-methylamino]pyrrolidin-1-yl]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 166374259
2-(3-fluoro-4-methylphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978384
2-(4-fluoro-3-methylphenyl)-4-propyl-1H-pyrimidin-6-one
CID 135985118
4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one
CID 136938663
2-[6-[(3,3-difluorocyclopentyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 167837262
3-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]propanoic acid
CID 137098040
(2R)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-3-methylbutanoic acid
CID 137098081
2-[6-[(2,5-dimethylthiophen-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136528513
2-[6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137268792
2-[6-(4,4-dimethylazepan-1-yl)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137275494

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[6-[(3-fluoro-4-methylphenyl)methyl-methylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[6-[(3-fluoro-4-methylphenyl)methyl-methylamino]-3-pyridinyl]-1H-pyrimidin-6-one (CID 137269458) is 4-ethyl-2-[6-[(3-fluoro-4-methylphenyl)methyl-methylamino]-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[6-[(3-fluoro-4-methylphenyl)methyl-methylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[6-[(3-fluoro-4-methylphenyl)methyl-methylamino]-3-pyridinyl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(N(C)Cc3ccc(C)c(F)c3)nc2)n1.
What is the InChIKey of 4-ethyl-2-[6-[(3-fluoro-4-methylphenyl)methyl-methylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is ZYNKTSVLFBHWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-4-16-10-19(26)24-20(23-16)15-7-8-18(22-11-15)25(3)12-14-6-5-13(2)17(21)9-14/h5-11H,4,12H2,1-3H3,(H,23,24,26).
What are the key properties of 4-ethyl-2-[6-[(3-fluoro-4-methylphenyl)methyl-methylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
4-ethyl-2-[6-[(3-fluoro-4-methylphenyl)methyl-methylamino]-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 352.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[6-[(3-fluoro-4-methylphenyl)methyl-methylamino]-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137269458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).