6-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine

C17H16F2N4O2S — CID 142381138

IUPAC6-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine
SMILESCNc1nc(-c2c(F)c(OC)cc(OC)c2F)cc2cnc(SC)nc12
InChIInChI=1S/C17H16F2N4O2S/c1-20-16-15-8(7-21-17(23-15)26-4)5-9(22-16)12-13(18)10(24-2)6-11(25-3)14(12)19/h5-7H,1-4H3,(H,20,22)
InChIKeyBXINUEHDKXCTGW-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.75
Rot. Bonds5

About 6-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine

6-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine (PubChem CID 142381138) has the molecular formula C17H16F2N4O2S and a molecular weight of 378.40 g/mol. Its IUPAC name is 6-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine.

Molecular Properties

Compound Name6-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine
PubChem CID142381138
Molecular FormulaC17H16F2N4O2S
Molecular Weight378.40 g/mol
Exact Mass378.10
IUPAC Name6-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine
SMILESCNc1nc(-c2c(F)c(OC)cc(OC)c2F)cc2cnc(SC)nc12
InChIInChI=1S/C17H16F2N4O2S/c1-20-16-15-8(7-21-17(23-15)26-4)5-9(22-16)12-13(18)10(24-2)6-11(25-3)14(12)19/h5-7H,1-4H3,(H,20,22)
InChIKeyBXINUEHDKXCTGW-UHFFFAOYSA-N
XLogP3.75
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine;ethane
CID 142380890
6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylsulfanyl-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-8-amine
CID 139385526
6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(2-fluorophenyl)-2-methylsulfanylpyrido[3,4-d]pyrimidine
CID 146283443
6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)-2-methylsulfanylpyrido[3,4-d]pyrimidine
CID 135180928
N-(3,3-difluorocyclobutyl)-6-(3,5-dimethoxy-2,6-dimethylphenyl)-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine
CID 142381377
6-(3,5-dimethoxy-2,6-dimethylphenyl)-N-(1-methylazetidin-3-yl)-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine
CID 142381470
8-N-cyclopropyl-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 139396194
6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine
CID 135179885
6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-N-(2,2,2-trifluoroethyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 142381219
6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 139395868
6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-N,8-N-dimethylpyrido[3,4-d]pyrimidine-2,8-diamine;propane
CID 142380947
6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine
CID 135180539

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine?
The IUPAC name of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine (CID 142381138) is 6-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine.
What is the SMILES notation for 6-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine?
The canonical SMILES for 6-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine is CNc1nc(-c2c(F)c(OC)cc(OC)c2F)cc2cnc(SC)nc12.
What is the InChIKey of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine?
The InChIKey is BXINUEHDKXCTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2S/c1-20-16-15-8(7-21-17(23-15)26-4)5-9(22-16)12-13(18)10(24-2)6-11(25-3)14(12)19/h5-7H,1-4H3,(H,20,22).
What are the key properties of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine?
6-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine has a molecular weight of 378.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine is sourced from PubChem (CID 142381138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).