4-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-3-methyl-2-methylsulfanyl-2H-pyrido[3,4-d]pyrimidin-8-yl]morpholine

C21H24Cl2N4O3S — CID 142381163

IUPAC4-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-3-methyl-2-methylsulfanyl-2H-pyrido[3,4-d]pyrimidin-8-yl]morpholine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3c(c(N4CCOCC4)n2)=NC(SC)N(C)C=3)c1Cl
InChIInChI=1S/C21H24Cl2N4O3S/c1-26-11-12-9-13(16-17(22)14(28-2)10-15(29-3)18(16)23)24-20(19(12)25-21(26)31-4)27-5-7-30-8-6-27/h9-11,21H,5-8H2,1-4H3
InChIKeyGTTSWAIHKOGZLA-UHFFFAOYSA-N
MW483.42 g/mol
LogP2.86
Rot. Bonds5

About 4-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-3-methyl-2-methylsulfanyl-2H-pyrido[3,4-d]pyrimidin-8-yl]morpholine

4-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-3-methyl-2-methylsulfanyl-2H-pyrido[3,4-d]pyrimidin-8-yl]morpholine (PubChem CID 142381163) has the molecular formula C21H24Cl2N4O3S and a molecular weight of 483.42 g/mol. Its IUPAC name is 4-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-3-methyl-2-methylsulfanyl-2H-pyrido[3,4-d]pyrimidin-8-yl]morpholine.

Molecular Properties

Compound Name4-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-3-methyl-2-methylsulfanyl-2H-pyrido[3,4-d]pyrimidin-8-yl]morpholine
PubChem CID142381163
Molecular FormulaC21H24Cl2N4O3S
Molecular Weight483.42 g/mol
Exact Mass482.09
IUPAC Name4-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-3-methyl-2-methylsulfanyl-2H-pyrido[3,4-d]pyrimidin-8-yl]morpholine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3c(c(N4CCOCC4)n2)=NC(SC)N(C)C=3)c1Cl
InChIInChI=1S/C21H24Cl2N4O3S/c1-26-11-12-9-13(16-17(22)14(28-2)10-15(29-3)18(16)23)24-20(19(12)25-21(26)31-4)27-5-7-30-8-6-27/h9-11,21H,5-8H2,1-4H3
InChIKeyGTTSWAIHKOGZLA-UHFFFAOYSA-N
XLogP2.86
TPSA59.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.42
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine
CID 139395802
4-[7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-yl]morpholine
CID 135181397
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-1-pyrrolidin-1-yl-2,6-naphthyridine
CID 142381099
8-(azetidin-1-yl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[3,4-d]pyrimidine
CID 139385562
1-[[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]amino]oxolan-3-yl]amino]prop-2-en-1-ol
CID 167095727
4-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]pyrido[3,4-d]pyrimidin-8-yl]morpholine
CID 146283452
2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-morpholin-4-ylpyrido[3,4-d]pyrimidin-6-amine
CID 139395646
4-(6-chloro-5-fluoro-3-methoxy-2-pyridinyl)morpholine
CID 164917508
1-[2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-3-methylpyrrolidin-3-ol;oxane
CID 142380857
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 139396169
[2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(2-morpholin-4-ylethyl)azanide
CID 142381129
3-[3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-2,6-naphthyridin-1-yl]-1,3-oxazinane
CID 135180259

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-3-methyl-2-methylsulfanyl-2H-pyrido[3,4-d]pyrimidin-8-yl]morpholine?
The IUPAC name of 4-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-3-methyl-2-methylsulfanyl-2H-pyrido[3,4-d]pyrimidin-8-yl]morpholine (CID 142381163) is 4-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-3-methyl-2-methylsulfanyl-2H-pyrido[3,4-d]pyrimidin-8-yl]morpholine.
What is the SMILES notation for 4-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-3-methyl-2-methylsulfanyl-2H-pyrido[3,4-d]pyrimidin-8-yl]morpholine?
The canonical SMILES for 4-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-3-methyl-2-methylsulfanyl-2H-pyrido[3,4-d]pyrimidin-8-yl]morpholine is COc1cc(OC)c(Cl)c(-c2cc3c(c(N4CCOCC4)n2)=NC(SC)N(C)C=3)c1Cl.
What is the InChIKey of 4-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-3-methyl-2-methylsulfanyl-2H-pyrido[3,4-d]pyrimidin-8-yl]morpholine?
The InChIKey is GTTSWAIHKOGZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N4O3S/c1-26-11-12-9-13(16-17(22)14(28-2)10-15(29-3)18(16)23)24-20(19(12)25-21(26)31-4)27-5-7-30-8-6-27/h9-11,21H,5-8H2,1-4H3.
What are the key properties of 4-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-3-methyl-2-methylsulfanyl-2H-pyrido[3,4-d]pyrimidin-8-yl]morpholine?
4-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-3-methyl-2-methylsulfanyl-2H-pyrido[3,4-d]pyrimidin-8-yl]morpholine has a molecular weight of 483.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-3-methyl-2-methylsulfanyl-2H-pyrido[3,4-d]pyrimidin-8-yl]morpholine is sourced from PubChem (CID 142381163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).