4-amino-5,5-dimethyl-2-[2-(2,3,6-trifluorophenyl)ethyl]-6,8-dihydropyrido[2,3-d]pyrimidin-7-one

C17H17F3N4O — CID 58425675

IUPAC4-amino-5,5-dimethyl-2-[2-(2,3,6-trifluorophenyl)ethyl]-6,8-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCC1(C)CC(=O)Nc2nc(CCc3c(F)ccc(F)c3F)nc(N)c21
InChIInChI=1S/C17H17F3N4O/c1-17(2)7-12(25)24-16-13(17)15(21)22-11(23-16)6-3-8-9(18)4-5-10(19)14(8)20/h4-5H,3,6-7H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyLVVSXWMDGXAWAB-UHFFFAOYSA-N
MW350.34 g/mol
LogP2.88
Rot. Bonds3

About 4-amino-5,5-dimethyl-2-[2-(2,3,6-trifluorophenyl)ethyl]-6,8-dihydropyrido[2,3-d]pyrimidin-7-one

4-amino-5,5-dimethyl-2-[2-(2,3,6-trifluorophenyl)ethyl]-6,8-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 58425675) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is 4-amino-5,5-dimethyl-2-[2-(2,3,6-trifluorophenyl)ethyl]-6,8-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-amino-5,5-dimethyl-2-[2-(2,3,6-trifluorophenyl)ethyl]-6,8-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID58425675
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC Name4-amino-5,5-dimethyl-2-[2-(2,3,6-trifluorophenyl)ethyl]-6,8-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCC1(C)CC(=O)Nc2nc(CCc3c(F)ccc(F)c3F)nc(N)c21
InChIInChI=1S/C17H17F3N4O/c1-17(2)7-12(25)24-16-13(17)15(21)22-11(23-16)6-3-8-9(18)4-5-10(19)14(8)20/h4-5H,3,6-7H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyLVVSXWMDGXAWAB-UHFFFAOYSA-N
XLogP2.88
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-amino-5,5-dimethyl-2-[3-[(2,3,6-trifluorophenyl)methyl]thieno[2,3-c]pyrazol-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 46223465
4-amino-2-[[1-(2-bromo-5-chlorophenyl)-2-(2,3,6-trifluorophenyl)ethyl]diazenyl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 123670299
4-amino-2-[6-cyclopropyl-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 46220837
4-amino-2-[6-(3-fluorophenyl)-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 46220614
2-(2-aminoethyl)-3,4-difluoroaniline
CID 55254324
(6S)-6-(3-amino-2-fluorophenyl)-6-methyl-2-methylimino-1,3-diazinan-4-one
CID 175359027
2-(2-aminoethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 82410094
4-amino-2-[3-[(2-fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrrol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 145046838
(9S)-3-[1-[(2,6-difluorophenyl)methyl]-5-fluoropyrazolo[5,4-b]pyridin-3-yl]-9-methyl-2,4,6,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1(14),2,4-triene-7,12-dione
CID 169021100
1,5-bis(2,3,6-trifluorophenyl)pentan-3-one
CID 175279954
2-amino-4-methyl-4-naphthalen-1-yl-1,5-dihydropyrimidin-6-one
CID 70324499
4-amino-2-prop-2-enyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 67939026

Frequently Asked Questions

What is the IUPAC name of 4-amino-5,5-dimethyl-2-[2-(2,3,6-trifluorophenyl)ethyl]-6,8-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-amino-5,5-dimethyl-2-[2-(2,3,6-trifluorophenyl)ethyl]-6,8-dihydropyrido[2,3-d]pyrimidin-7-one (CID 58425675) is 4-amino-5,5-dimethyl-2-[2-(2,3,6-trifluorophenyl)ethyl]-6,8-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-amino-5,5-dimethyl-2-[2-(2,3,6-trifluorophenyl)ethyl]-6,8-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-amino-5,5-dimethyl-2-[2-(2,3,6-trifluorophenyl)ethyl]-6,8-dihydropyrido[2,3-d]pyrimidin-7-one is CC1(C)CC(=O)Nc2nc(CCc3c(F)ccc(F)c3F)nc(N)c21.
What is the InChIKey of 4-amino-5,5-dimethyl-2-[2-(2,3,6-trifluorophenyl)ethyl]-6,8-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LVVSXWMDGXAWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O/c1-17(2)7-12(25)24-16-13(17)15(21)22-11(23-16)6-3-8-9(18)4-5-10(19)14(8)20/h4-5H,3,6-7H2,1-2H3,(H3,21,22,23,24,25).
What are the key properties of 4-amino-5,5-dimethyl-2-[2-(2,3,6-trifluorophenyl)ethyl]-6,8-dihydropyrido[2,3-d]pyrimidin-7-one?
4-amino-5,5-dimethyl-2-[2-(2,3,6-trifluorophenyl)ethyl]-6,8-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 350.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,5-dimethyl-2-[2-(2,3,6-trifluorophenyl)ethyl]-6,8-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 58425675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).