5-[6-amino-2-[4-(dimethylamino)phenyl]-5-fluoropyrimidin-4-yl]-1-methylpyridin-2-one

C18H18FN5O — CID 175582360

IUPAC5-[6-amino-2-[4-(dimethylamino)phenyl]-5-fluoropyrimidin-4-yl]-1-methylpyridin-2-one
SMILESCN(C)c1ccc(-c2nc(N)c(F)c(-c3ccc(=O)n(C)c3)n2)cc1
InChIInChI=1S/C18H18FN5O/c1-23(2)13-7-4-11(5-8-13)18-21-16(15(19)17(20)22-18)12-6-9-14(25)24(3)10-12/h4-10H,1-3H3,(H2,20,21,22)
InChIKeyLVGSLCCTRSIFTN-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.30
Rot. Bonds3

About 5-[6-amino-2-[4-(dimethylamino)phenyl]-5-fluoropyrimidin-4-yl]-1-methylpyridin-2-one

5-[6-amino-2-[4-(dimethylamino)phenyl]-5-fluoropyrimidin-4-yl]-1-methylpyridin-2-one (PubChem CID 175582360) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 5-[6-amino-2-[4-(dimethylamino)phenyl]-5-fluoropyrimidin-4-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[6-amino-2-[4-(dimethylamino)phenyl]-5-fluoropyrimidin-4-yl]-1-methylpyridin-2-one
PubChem CID175582360
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name5-[6-amino-2-[4-(dimethylamino)phenyl]-5-fluoropyrimidin-4-yl]-1-methylpyridin-2-one
SMILESCN(C)c1ccc(-c2nc(N)c(F)c(-c3ccc(=O)n(C)c3)n2)cc1
InChIInChI=1S/C18H18FN5O/c1-23(2)13-7-4-11(5-8-13)18-21-16(15(19)17(20)22-18)12-6-9-14(25)24(3)10-12/h4-10H,1-3H3,(H2,20,21,22)
InChIKeyLVGSLCCTRSIFTN-UHFFFAOYSA-N
XLogP2.30
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-bis[4-(dimethylamino)phenyl]-1,3,5-triazin-2-amine
CID 54222591
5-[6-amino-5-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 175582346
6-chloro-2-[4-(dimethylamino)phenyl]quinazolin-4-amine
CID 64983672
5-[6-amino-5-(aminomethyl)-3-(5-methylfuran-3-yl)pyrazin-2-yl]-1-methylpyridin-2-one
CID 155209218
5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-cyclopentylpyridin-2-one
CID 175582350
3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(triazol-2-yl)pyrazine-2-carboxamide
CID 146380235
4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-N,N-dimethylaniline
CID 1005177
5-[4-(aminomethyl)phenyl]-1-methylpyridin-2-one
CID 170269892
3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
CID 155678730
1-methyl-5-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one
CID 53156543
3-cyclopropyl-5-[4-(dimethylamino)phenyl]-2-methylimidazol-4-amine
CID 55047872
5-[4-(dimethylamino)phenyl]-2-methyl-3-propylimidazol-4-amine
CID 62225213

Frequently Asked Questions

What is the IUPAC name of 5-[6-amino-2-[4-(dimethylamino)phenyl]-5-fluoropyrimidin-4-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[6-amino-2-[4-(dimethylamino)phenyl]-5-fluoropyrimidin-4-yl]-1-methylpyridin-2-one (CID 175582360) is 5-[6-amino-2-[4-(dimethylamino)phenyl]-5-fluoropyrimidin-4-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[6-amino-2-[4-(dimethylamino)phenyl]-5-fluoropyrimidin-4-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[6-amino-2-[4-(dimethylamino)phenyl]-5-fluoropyrimidin-4-yl]-1-methylpyridin-2-one is CN(C)c1ccc(-c2nc(N)c(F)c(-c3ccc(=O)n(C)c3)n2)cc1.
What is the InChIKey of 5-[6-amino-2-[4-(dimethylamino)phenyl]-5-fluoropyrimidin-4-yl]-1-methylpyridin-2-one?
The InChIKey is LVGSLCCTRSIFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-23(2)13-7-4-11(5-8-13)18-21-16(15(19)17(20)22-18)12-6-9-14(25)24(3)10-12/h4-10H,1-3H3,(H2,20,21,22).
What are the key properties of 5-[6-amino-2-[4-(dimethylamino)phenyl]-5-fluoropyrimidin-4-yl]-1-methylpyridin-2-one?
5-[6-amino-2-[4-(dimethylamino)phenyl]-5-fluoropyrimidin-4-yl]-1-methylpyridin-2-one has a molecular weight of 339.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-amino-2-[4-(dimethylamino)phenyl]-5-fluoropyrimidin-4-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 175582360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).