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

C20H20Cl2N4O4 — CID 118885967

IUPAC6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(N[C@@H]4COC[C@@H]4C)nc3[nH]c2=O)c1Cl
InChIInChI=1S/C20H20Cl2N4O4/c1-9-7-30-8-12(9)24-20-23-6-10-4-11(19(27)25-18(10)26-20)15-16(21)13(28-2)5-14(29-3)17(15)22/h4-6,9,12H,7-8H2,1-3H3,(H2,23,24,25,26,27)/t9-,12+/m0/s1
InChIKeyTWKPFNPZVDUTRH-JOYOIKCWSA-N
MW451.31 g/mol
LogP3.76
Rot. Bonds5

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

6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 118885967) has the molecular formula C20H20Cl2N4O4 and a molecular weight of 451.31 g/mol. Its IUPAC name is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID118885967
Molecular FormulaC20H20Cl2N4O4
Molecular Weight451.31 g/mol
Exact Mass450.09
IUPAC Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(N[C@@H]4COC[C@@H]4C)nc3[nH]c2=O)c1Cl
InChIInChI=1S/C20H20Cl2N4O4/c1-9-7-30-8-12(9)24-20-23-6-10-4-11(19(27)25-18(10)26-20)15-16(21)13(28-2)5-14(29-3)17(15)22/h4-6,9,12H,7-8H2,1-3H3,(H2,23,24,25,26,27)/t9-,12+/m0/s1
InChIKeyTWKPFNPZVDUTRH-JOYOIKCWSA-N
XLogP3.76
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.31
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

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
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
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
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
3-N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]-4-N-prop-2-enyloxolane-3,4-diamine
CID 123535657
2-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]oxolan-3-yl]prop-2-enamide
CID 175692558
N-[(4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide
CID 167095572
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
[(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
methyl N-[4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]carbamate
CID 23551842
7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one
CID 146474786
2-[(3R,4S)-4-[[8-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide
CID 153327688

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 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) is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one is COc1cc(OC)c(Cl)c(-c2cc3cnc(N[C@@H]4COC[C@@H]4C)nc3[nH]c2=O)c1Cl.
What is the InChIKey of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is TWKPFNPZVDUTRH-JOYOIKCWSA-N. The full InChI is InChI=1S/C20H20Cl2N4O4/c1-9-7-30-8-12(9)24-20-23-6-10-4-11(19(27)25-18(10)26-20)15-16(21)13(28-2)5-14(29-3)17(15)22/h4-6,9,12H,7-8H2,1-3H3,(H2,23,24,25,26,27)/t9-,12+/m0/s1.
What are the key properties of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 451.31 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 118885967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).