6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine

C16H14ClFN4O2S — CID 118295642

IUPAC6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(SC)nc3nc2N)c1F
InChIInChI=1S/C16H14ClFN4O2S/c1-23-9-5-10(24-2)13(18)11(12(9)17)8-4-7-6-20-16(25-3)22-15(7)21-14(8)19/h4-6H,1-3H3,(H2,19,20,21,22)
InChIKeyRWKFDAKVZOVUJT-UHFFFAOYSA-N
MW380.83 g/mol
LogP3.81
Rot. Bonds4

About 6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine

6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine (PubChem CID 118295642) has the molecular formula C16H14ClFN4O2S and a molecular weight of 380.83 g/mol. Its IUPAC name is 6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine
PubChem CID118295642
Molecular FormulaC16H14ClFN4O2S
Molecular Weight380.83 g/mol
Exact Mass380.05
IUPAC Name6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(SC)nc3nc2N)c1F
InChIInChI=1S/C16H14ClFN4O2S/c1-23-9-5-10(24-2)13(18)11(12(9)17)8-4-7-6-20-16(25-3)22-15(7)21-14(8)19/h4-6H,1-3H3,(H2,19,20,21,22)
InChIKeyRWKFDAKVZOVUJT-UHFFFAOYSA-N
XLogP3.81
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine?
The IUPAC name of 6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine (CID 118295642) is 6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine.
What is the SMILES notation for 6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine?
The canonical SMILES for 6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine is COc1cc(OC)c(Cl)c(-c2cc3cnc(SC)nc3nc2N)c1F.
What is the InChIKey of 6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine?
The InChIKey is RWKFDAKVZOVUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN4O2S/c1-23-9-5-10(24-2)13(18)11(12(9)17)8-4-7-6-20-16(25-3)22-15(7)21-14(8)19/h4-6H,1-3H3,(H2,19,20,21,22).
What are the key properties of 6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine?
6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine has a molecular weight of 380.83 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine is sourced from PubChem (CID 118295642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).