5-(2-fluoro-4-methylanilino)-6,8-dimethyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-4,7-dione

C19H21FN4O2 — CID 143711343

IUPAC5-(2-fluoro-4-methylanilino)-6,8-dimethyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1ccc(Nc2c(C)c(=O)n(C)c3ncn(C(C)C)c(=O)c23)c(F)c1
InChIInChI=1S/C19H21FN4O2/c1-10(2)24-9-21-17-15(19(24)26)16(12(4)18(25)23(17)5)22-14-7-6-11(3)8-13(14)20/h6-10,22H,1-5H3
InChIKeyHDTYJFQCWAXTFR-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.18
Rot. Bonds3

About 5-(2-fluoro-4-methylanilino)-6,8-dimethyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-4,7-dione

5-(2-fluoro-4-methylanilino)-6,8-dimethyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 143711343) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 5-(2-fluoro-4-methylanilino)-6,8-dimethyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(2-fluoro-4-methylanilino)-6,8-dimethyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID143711343
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name5-(2-fluoro-4-methylanilino)-6,8-dimethyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1ccc(Nc2c(C)c(=O)n(C)c3ncn(C(C)C)c(=O)c23)c(F)c1
InChIInChI=1S/C19H21FN4O2/c1-10(2)24-9-21-17-15(19(24)26)16(12(4)18(25)23(17)5)22-14-7-6-11(3)8-13(14)20/h6-10,22H,1-5H3
InChIKeyHDTYJFQCWAXTFR-UHFFFAOYSA-N
XLogP3.18
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2-fluoro-4-methylanilino)-6,8-dimethyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-4,7-dione with MolForge

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Related Compounds

3-(1,3-dihydroxypropan-2-yl)-6-fluoro-5-(2-fluoro-4-methylanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 143711351
ethane;5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
CID 143711337
methyl 2-[5-(2-fluoro-4-methylanilino)-8-methyl-4,7-dioxopyrido[2,3-d]pyrimidin-3-yl]acetate
CID 143711375
2-fluoro-5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
CID 143711329
6-chloro-5-(2-fluoro-4-iodoanilino)-3-(2-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 24967881
5-(4-bromo-2-fluoroanilino)-6-chloro-3-[(1R)-1,2-dihydroxyethoxy]-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 59334446
6-fluoro-5-(2-fluoro-4-iodoanilino)-3-[(2R)-3-hydroxy-2-methoxypropyl]-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 144762838
(2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)propanamide
CID 40661315
N-[4-[[3-(2,3-dihydroxypropyl)-6-fluoro-8-methyl-4,7-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]-3-fluorophenyl]methanesulfonamide
CID 67065922
4-(2-fluoro-4-methylanilino)-N-(3-hydroxypropoxy)-1,5-dimethyl-6-oxopyridazine-3-carboxamide
CID 143439029
3-cyclopropyl-1-(2-fluoro-4-methylphenyl)-6,8-dimethyl-5-[2-methyl-3-(methylsulfamoylamino)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione
CID 166081161
1-[3-[6-cyclopropyl-4-(2-fluoro-4-methylanilino)-1,3-dimethyl-2,5-dioxopyrido[2,3-d]pyridazin-8-yl]phenyl]-2-methylguanidine
CID 166080970

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methylanilino)-6,8-dimethyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(2-fluoro-4-methylanilino)-6,8-dimethyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-4,7-dione (CID 143711343) is 5-(2-fluoro-4-methylanilino)-6,8-dimethyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(2-fluoro-4-methylanilino)-6,8-dimethyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(2-fluoro-4-methylanilino)-6,8-dimethyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-4,7-dione is Cc1ccc(Nc2c(C)c(=O)n(C)c3ncn(C(C)C)c(=O)c23)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-methylanilino)-6,8-dimethyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is HDTYJFQCWAXTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-10(2)24-9-21-17-15(19(24)26)16(12(4)18(25)23(17)5)22-14-7-6-11(3)8-13(14)20/h6-10,22H,1-5H3.
What are the key properties of 5-(2-fluoro-4-methylanilino)-6,8-dimethyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-4,7-dione?
5-(2-fluoro-4-methylanilino)-6,8-dimethyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 356.40 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methylanilino)-6,8-dimethyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 143711343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).