3-(2,3-dihydroxypropyl)-5-(2-fluoro-4-methylanilino)-8-methyl-4-methylidenepyrido[2,3-d]pyrimidin-7-one

C19H21FN4O3 — CID 143711364

IUPAC3-(2,3-dihydroxypropyl)-5-(2-fluoro-4-methylanilino)-8-methyl-4-methylidenepyrido[2,3-d]pyrimidin-7-one
SMILESC=C1c2c(Nc3ccc(C)cc3F)cc(=O)n(C)c2N=CN1CC(O)CO
InChIInChI=1S/C19H21FN4O3/c1-11-4-5-15(14(20)6-11)22-16-7-17(27)23(3)19-18(16)12(2)24(10-21-19)8-13(26)9-25/h4-7,10,13,22,25-26H,2,8-9H2,1,3H3
InChIKeyZJHNZTNTMHFMFE-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.88
Rot. Bonds5

About 3-(2,3-dihydroxypropyl)-5-(2-fluoro-4-methylanilino)-8-methyl-4-methylidenepyrido[2,3-d]pyrimidin-7-one

3-(2,3-dihydroxypropyl)-5-(2-fluoro-4-methylanilino)-8-methyl-4-methylidenepyrido[2,3-d]pyrimidin-7-one (PubChem CID 143711364) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropyl)-5-(2-fluoro-4-methylanilino)-8-methyl-4-methylidenepyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name3-(2,3-dihydroxypropyl)-5-(2-fluoro-4-methylanilino)-8-methyl-4-methylidenepyrido[2,3-d]pyrimidin-7-one
PubChem CID143711364
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name3-(2,3-dihydroxypropyl)-5-(2-fluoro-4-methylanilino)-8-methyl-4-methylidenepyrido[2,3-d]pyrimidin-7-one
SMILESC=C1c2c(Nc3ccc(C)cc3F)cc(=O)n(C)c2N=CN1CC(O)CO
InChIInChI=1S/C19H21FN4O3/c1-11-4-5-15(14(20)6-11)22-16-7-17(27)23(3)19-18(16)12(2)24(10-21-19)8-13(26)9-25/h4-7,10,13,22,25-26H,2,8-9H2,1,3H3
InChIKeyZJHNZTNTMHFMFE-UHFFFAOYSA-N
XLogP1.88
TPSA90.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(2R)-2,3-dihydroxypropoxy]-5-(2-fluoro-4-iodoanilino)-8-methyl-4-methylidenepyrido[2,3-d]pyrimidin-7-one
CID 89256850
5-[(2,3-dihydroxypropylamino)sulfanylamino]-4-(2-fluoro-4-methylanilino)-1-methylpyridin-2-one;ethane
CID 143564185
2-[(2S)-2,3-dihydroxypropyl]-8-(2-fluoro-4-methylanilino)-2,6-naphthyridin-1-one
CID 163456255
4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 142980506
1-(2,3-dihydroxypropyl)-N-[4-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
CID 143564129
3-[(2R)-2,3-dihydroxypropyl]-5-[2-fluoro-4-(methylsulfonylmethyl)anilino]-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 58191935
1-(2,3-dihydroxypropyl)-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide
CID 91061488
2-fluoro-5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
CID 143711329
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
4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide
CID 11482748
ethane;5-(2-fluoro-4-methylanilino)-3-(2-hydroxyethoxy)-8-methyl-4H-pyrano[2,3-b]pyridin-7-one
CID 145480110

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropyl)-5-(2-fluoro-4-methylanilino)-8-methyl-4-methylidenepyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 3-(2,3-dihydroxypropyl)-5-(2-fluoro-4-methylanilino)-8-methyl-4-methylidenepyrido[2,3-d]pyrimidin-7-one (CID 143711364) is 3-(2,3-dihydroxypropyl)-5-(2-fluoro-4-methylanilino)-8-methyl-4-methylidenepyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 3-(2,3-dihydroxypropyl)-5-(2-fluoro-4-methylanilino)-8-methyl-4-methylidenepyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 3-(2,3-dihydroxypropyl)-5-(2-fluoro-4-methylanilino)-8-methyl-4-methylidenepyrido[2,3-d]pyrimidin-7-one is C=C1c2c(Nc3ccc(C)cc3F)cc(=O)n(C)c2N=CN1CC(O)CO.
What is the InChIKey of 3-(2,3-dihydroxypropyl)-5-(2-fluoro-4-methylanilino)-8-methyl-4-methylidenepyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZJHNZTNTMHFMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-11-4-5-15(14(20)6-11)22-16-7-17(27)23(3)19-18(16)12(2)24(10-21-19)8-13(26)9-25/h4-7,10,13,22,25-26H,2,8-9H2,1,3H3.
What are the key properties of 3-(2,3-dihydroxypropyl)-5-(2-fluoro-4-methylanilino)-8-methyl-4-methylidenepyrido[2,3-d]pyrimidin-7-one?
3-(2,3-dihydroxypropyl)-5-(2-fluoro-4-methylanilino)-8-methyl-4-methylidenepyrido[2,3-d]pyrimidin-7-one has a molecular weight of 372.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropyl)-5-(2-fluoro-4-methylanilino)-8-methyl-4-methylidenepyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 143711364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).