6-methyl-2-methylsulfanyl-7,8-dihydropyrido[2,3-d]pyrimidine

C9H11N3S — CID 70111819

IUPAC6-methyl-2-methylsulfanyl-7,8-dihydropyrido[2,3-d]pyrimidine
SMILESCSc1ncc2c(n1)NCC(C)=C2
InChIInChI=1S/C9H11N3S/c1-6-3-7-5-11-9(13-2)12-8(7)10-4-6/h3,5H,4H2,1-2H3,(H,10,11,12)
InChIKeyHYVMMNBRRXONPE-UHFFFAOYSA-N
MW193.28 g/mol
LogP2.03
Rot. Bonds1

About 6-methyl-2-methylsulfanyl-7,8-dihydropyrido[2,3-d]pyrimidine

6-methyl-2-methylsulfanyl-7,8-dihydropyrido[2,3-d]pyrimidine (PubChem CID 70111819) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 6-methyl-2-methylsulfanyl-7,8-dihydropyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-2-methylsulfanyl-7,8-dihydropyrido[2,3-d]pyrimidine
PubChem CID70111819
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name6-methyl-2-methylsulfanyl-7,8-dihydropyrido[2,3-d]pyrimidine
SMILESCSc1ncc2c(n1)NCC(C)=C2
InChIInChI=1S/C9H11N3S/c1-6-3-7-5-11-9(13-2)12-8(7)10-4-6/h3,5H,4H2,1-2H3,(H,10,11,12)
InChIKeyHYVMMNBRRXONPE-UHFFFAOYSA-N
XLogP2.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylsulfanyl-7,8-dihydropyrido[2,3-d]pyrimidine?
The IUPAC name of 6-methyl-2-methylsulfanyl-7,8-dihydropyrido[2,3-d]pyrimidine (CID 70111819) is 6-methyl-2-methylsulfanyl-7,8-dihydropyrido[2,3-d]pyrimidine.
What is the SMILES notation for 6-methyl-2-methylsulfanyl-7,8-dihydropyrido[2,3-d]pyrimidine?
The canonical SMILES for 6-methyl-2-methylsulfanyl-7,8-dihydropyrido[2,3-d]pyrimidine is CSc1ncc2c(n1)NCC(C)=C2.
What is the InChIKey of 6-methyl-2-methylsulfanyl-7,8-dihydropyrido[2,3-d]pyrimidine?
The InChIKey is HYVMMNBRRXONPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-6-3-7-5-11-9(13-2)12-8(7)10-4-6/h3,5H,4H2,1-2H3,(H,10,11,12).
What are the key properties of 6-methyl-2-methylsulfanyl-7,8-dihydropyrido[2,3-d]pyrimidine?
6-methyl-2-methylsulfanyl-7,8-dihydropyrido[2,3-d]pyrimidine has a molecular weight of 193.28 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylsulfanyl-7,8-dihydropyrido[2,3-d]pyrimidine is sourced from PubChem (CID 70111819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).