8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine

C9H10N4S — CID 18374886

IUPAC8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine
SMILES[H]/N=c1\ccc2cnc(SC)nc2n1C
InChIInChI=1S/C9H10N4S/c1-13-7(10)4-3-6-5-11-9(14-2)12-8(6)13/h3-5,10H,1-2H3/b10-7+
InChIKeyDBSJOBFRMINVHV-JXMROGBWSA-N
MW206.27 g/mol
LogP1.17
Rot. Bonds1

About 8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine

8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine (PubChem CID 18374886) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine.

Molecular Properties

Compound Name8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine
PubChem CID18374886
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine
SMILES[H]/N=c1\ccc2cnc(SC)nc2n1C
InChIInChI=1S/C9H10N4S/c1-13-7(10)4-3-6-5-11-9(14-2)12-8(6)13/h3-5,10H,1-2H3/b10-7+
InChIKeyDBSJOBFRMINVHV-JXMROGBWSA-N
XLogP1.17
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine?
The IUPAC name of 8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine (CID 18374886) is 8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine.
What is the SMILES notation for 8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine?
The canonical SMILES for 8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine is [H]/N=c1\ccc2cnc(SC)nc2n1C.
What is the InChIKey of 8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine?
The InChIKey is DBSJOBFRMINVHV-JXMROGBWSA-N. The full InChI is InChI=1S/C9H10N4S/c1-13-7(10)4-3-6-5-11-9(14-2)12-8(6)13/h3-5,10H,1-2H3/b10-7+.
What are the key properties of 8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine?
8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine has a molecular weight of 206.27 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine is sourced from PubChem (CID 18374886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).