6-bromo-N-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine

C9H9BrN4S — CID 174049947

IUPAC6-bromo-N-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine
SMILESCNc1nc2nc(SC)ncc2cc1Br
InChIInChI=1S/C9H9BrN4S/c1-11-8-6(10)3-5-4-12-9(15-2)14-7(5)13-8/h3-4H,1-2H3,(H,11,12,13,14)
InChIKeyPKOSZGKWCWZHJF-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.55
Rot. Bonds2

About 6-bromo-N-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine

6-bromo-N-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine (PubChem CID 174049947) has the molecular formula C9H9BrN4S and a molecular weight of 285.17 g/mol. Its IUPAC name is 6-bromo-N-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-N-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine
PubChem CID174049947
Molecular FormulaC9H9BrN4S
Molecular Weight285.17 g/mol
Exact Mass283.97
IUPAC Name6-bromo-N-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine
SMILESCNc1nc2nc(SC)ncc2cc1Br
InChIInChI=1S/C9H9BrN4S/c1-11-8-6(10)3-5-4-12-9(15-2)14-7(5)13-8/h3-4H,1-2H3,(H,11,12,13,14)
InChIKeyPKOSZGKWCWZHJF-UHFFFAOYSA-N
XLogP2.55
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine?
The IUPAC name of 6-bromo-N-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine (CID 174049947) is 6-bromo-N-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-N-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-N-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine is CNc1nc2nc(SC)ncc2cc1Br.
What is the InChIKey of 6-bromo-N-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine?
The InChIKey is PKOSZGKWCWZHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4S/c1-11-8-6(10)3-5-4-12-9(15-2)14-7(5)13-8/h3-4H,1-2H3,(H,11,12,13,14).
What are the key properties of 6-bromo-N-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine?
6-bromo-N-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine has a molecular weight of 285.17 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine is sourced from PubChem (CID 174049947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).