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

C16H14Cl2N4O2S — CID 135179885

IUPAC6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(SC)nc3c(N)n2)c1Cl
InChIInChI=1S/C16H14Cl2N4O2S/c1-23-9-5-10(24-2)13(18)11(12(9)17)8-4-7-6-20-16(25-3)22-14(7)15(19)21-8/h4-6H,1-3H3,(H2,19,21)
InChIKeyWRJNUMZKRQEHOB-UHFFFAOYSA-N
MW397.29 g/mol
LogP4.32
Rot. Bonds4

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

6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine (PubChem CID 135179885) has the molecular formula C16H14Cl2N4O2S and a molecular weight of 397.29 g/mol. Its IUPAC name is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine.

Molecular Properties

Compound Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine
PubChem CID135179885
Molecular FormulaC16H14Cl2N4O2S
Molecular Weight397.29 g/mol
Exact Mass396.02
IUPAC Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(SC)nc3c(N)n2)c1Cl
InChIInChI=1S/C16H14Cl2N4O2S/c1-23-9-5-10(24-2)13(18)11(12(9)17)8-4-7-6-20-16(25-3)22-14(7)15(19)21-8/h4-6H,1-3H3,(H2,19,21)
InChIKeyWRJNUMZKRQEHOB-UHFFFAOYSA-N
XLogP4.32
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine?
The IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine (CID 135179885) is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine.
What is the SMILES notation for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine?
The canonical SMILES for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine is COc1cc(OC)c(Cl)c(-c2cc3cnc(SC)nc3c(N)n2)c1Cl.
What is the InChIKey of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine?
The InChIKey is WRJNUMZKRQEHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O2S/c1-23-9-5-10(24-2)13(18)11(12(9)17)8-4-7-6-20-16(25-3)22-14(7)15(19)21-8/h4-6H,1-3H3,(H2,19,21).
What are the key properties of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine?
6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine has a molecular weight of 397.29 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 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-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine is sourced from PubChem (CID 135179885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).