3-(1,3-dihydroxypropan-2-yl)-6-fluoro-5-(2-fluoro-4-methylanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione

C18H18F2N4O4 — CID 143711351

IUPAC3-(1,3-dihydroxypropan-2-yl)-6-fluoro-5-(2-fluoro-4-methylanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1ccc(Nc2c(F)c(=O)n(C)c3ncn(C(CO)CO)c(=O)c23)c(F)c1
InChIInChI=1S/C18H18F2N4O4/c1-9-3-4-12(11(19)5-9)22-15-13-16(23(2)18(28)14(15)20)21-8-24(17(13)27)10(6-25)7-26/h3-5,8,10,22,25-26H,6-7H2,1-2H3
InChIKeyGUPFGGDPSGTXOS-UHFFFAOYSA-N
MW392.36 g/mol
LogP0.95
Rot. Bonds5

About 3-(1,3-dihydroxypropan-2-yl)-6-fluoro-5-(2-fluoro-4-methylanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione

3-(1,3-dihydroxypropan-2-yl)-6-fluoro-5-(2-fluoro-4-methylanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 143711351) has the molecular formula C18H18F2N4O4 and a molecular weight of 392.36 g/mol. Its IUPAC name is 3-(1,3-dihydroxypropan-2-yl)-6-fluoro-5-(2-fluoro-4-methylanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name3-(1,3-dihydroxypropan-2-yl)-6-fluoro-5-(2-fluoro-4-methylanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID143711351
Molecular FormulaC18H18F2N4O4
Molecular Weight392.36 g/mol
Exact Mass392.13
IUPAC Name3-(1,3-dihydroxypropan-2-yl)-6-fluoro-5-(2-fluoro-4-methylanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1ccc(Nc2c(F)c(=O)n(C)c3ncn(C(CO)CO)c(=O)c23)c(F)c1
InChIInChI=1S/C18H18F2N4O4/c1-9-3-4-12(11(19)5-9)22-15-13-16(23(2)18(28)14(15)20)21-8-24(17(13)27)10(6-25)7-26/h3-5,8,10,22,25-26H,6-7H2,1-2H3
InChIKeyGUPFGGDPSGTXOS-UHFFFAOYSA-N
XLogP0.95
TPSA109.38 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-(2-fluoro-4-methylanilino)-6,8-dimethyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-4,7-dione
CID 143711343
6-fluoro-5-(2-fluoro-4-iodoanilino)-3-[(2R)-3-hydroxy-2-methoxypropyl]-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 144762838
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
ethane;5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
CID 143711337
5-(4-bromo-2-fluoroanilino)-6-chloro-3-[(1R)-1,2-dihydroxyethoxy]-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 59334446
methyl 2-[5-(2-fluoro-4-methylanilino)-8-methyl-4,7-dioxopyrido[2,3-d]pyrimidin-3-yl]acetate
CID 143711375
6-chloro-5-(2-fluoro-4-iodoanilino)-3-(2-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 24967881
2-fluoro-5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
CID 143711329
ethane;7-fluoro-6-(2-fluoro-4-methylanilino)-N-(3-hydroxypropyl)-3-methylbenzimidazole-5-carboxamide
CID 142991585
3-[(2R)-2,3-dihydroxypropyl]-5-[2-fluoro-4-(methylsulfonylmethyl)anilino]-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 58191935
3-(2,3-dihydroxypropyl)-5-(2-fluoro-4-methylanilino)-8-methyl-4-methylidenepyrido[2,3-d]pyrimidin-7-one
CID 143711364
4-(2-fluoro-4-methylanilino)-N-(3-hydroxypropoxy)-1,5-dimethyl-6-oxopyridazine-3-carboxamide
CID 143439029

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroxypropan-2-yl)-6-fluoro-5-(2-fluoro-4-methylanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 3-(1,3-dihydroxypropan-2-yl)-6-fluoro-5-(2-fluoro-4-methylanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione (CID 143711351) is 3-(1,3-dihydroxypropan-2-yl)-6-fluoro-5-(2-fluoro-4-methylanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 3-(1,3-dihydroxypropan-2-yl)-6-fluoro-5-(2-fluoro-4-methylanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 3-(1,3-dihydroxypropan-2-yl)-6-fluoro-5-(2-fluoro-4-methylanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione is Cc1ccc(Nc2c(F)c(=O)n(C)c3ncn(C(CO)CO)c(=O)c23)c(F)c1.
What is the InChIKey of 3-(1,3-dihydroxypropan-2-yl)-6-fluoro-5-(2-fluoro-4-methylanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is GUPFGGDPSGTXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O4/c1-9-3-4-12(11(19)5-9)22-15-13-16(23(2)18(28)14(15)20)21-8-24(17(13)27)10(6-25)7-26/h3-5,8,10,22,25-26H,6-7H2,1-2H3.
What are the key properties of 3-(1,3-dihydroxypropan-2-yl)-6-fluoro-5-(2-fluoro-4-methylanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione?
3-(1,3-dihydroxypropan-2-yl)-6-fluoro-5-(2-fluoro-4-methylanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 392.36 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroxypropan-2-yl)-6-fluoro-5-(2-fluoro-4-methylanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 143711351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).