6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one

C21H22F2N4O4 — CID 118885963

IUPAC6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1cc(OC)c(F)c(-c2cc3cnc(N[C@@H]4COC[C@@H]4C)nc3n(C)c2=O)c1F
InChIInChI=1S/C21H22F2N4O4/c1-10-8-31-9-13(10)25-21-24-7-11-5-12(20(28)27(2)19(11)26-21)16-17(22)14(29-3)6-15(30-4)18(16)23/h5-7,10,13H,8-9H2,1-4H3,(H,24,25,26)/t10-,13+/m0/s1
InChIKeyYYORVFSMTMWZLG-GXFFZTMASA-N
MW432.43 g/mol
LogP2.74
Rot. Bonds5

About 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one

6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 118885963) has the molecular formula C21H22F2N4O4 and a molecular weight of 432.43 g/mol. Its IUPAC name is 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID118885963
Molecular FormulaC21H22F2N4O4
Molecular Weight432.43 g/mol
Exact Mass432.16
IUPAC Name6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1cc(OC)c(F)c(-c2cc3cnc(N[C@@H]4COC[C@@H]4C)nc3n(C)c2=O)c1F
InChIInChI=1S/C21H22F2N4O4/c1-10-8-31-9-13(10)25-21-24-7-11-5-12(20(28)27(2)19(11)26-21)16-17(22)14(29-3)6-15(30-4)18(16)23/h5-7,10,13H,8-9H2,1-4H3,(H,24,25,26)/t10-,13+/m0/s1
InChIKeyYYORVFSMTMWZLG-GXFFZTMASA-N
XLogP2.74
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

N-[(3R)-4-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide
CID 144709027
N-[(3R)-4-[[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide
CID 163457307
tert-butyl N-[4-[[6-(3,5-dimethoxy-2,6-dimethylphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]carbamate
CID 123927948
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[(4-methyl-1,1-dioxothiolan-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 118885956
tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride
CID 159852324
[(1S,2R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentyl]azanium chloride
CID 159365382
6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 118885967
tert-butyl N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentyl]carbamate
CID 123991470
2-[[(3S,4R)-4-aminooxolan-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride
CID 157370097
N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide
CID 90436889
N-[(1S,2R)-5-cycloheptyl-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]prop-2-enamide
CID 155110047
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-methyl-2-N-[(3S,4R)-4-methyloxolan-3-yl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 157302741

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one (CID 118885963) is 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one is COc1cc(OC)c(F)c(-c2cc3cnc(N[C@@H]4COC[C@@H]4C)nc3n(C)c2=O)c1F.
What is the InChIKey of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YYORVFSMTMWZLG-GXFFZTMASA-N. The full InChI is InChI=1S/C21H22F2N4O4/c1-10-8-31-9-13(10)25-21-24-7-11-5-12(20(28)27(2)19(11)26-21)16-17(22)14(29-3)6-15(30-4)18(16)23/h5-7,10,13H,8-9H2,1-4H3,(H,24,25,26)/t10-,13+/m0/s1.
What are the key properties of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 432.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 118885963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).