2-methylsulfonylpyrido[4,3-d]pyrimidine

C8H7N3O2S — CID 83884276

IUPAC2-methylsulfonylpyrido[4,3-d]pyrimidine
SMILESCS(=O)(=O)c1ncc2cnccc2n1
InChIInChI=1S/C8H7N3O2S/c1-14(12,13)8-10-5-6-4-9-3-2-7(6)11-8/h2-5H,1H3
InChIKeyKKTIDPLSHJTOBJ-UHFFFAOYSA-N
MW209.23 g/mol
LogP0.43
Rot. Bonds1

About 2-methylsulfonylpyrido[4,3-d]pyrimidine

2-methylsulfonylpyrido[4,3-d]pyrimidine (PubChem CID 83884276) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 2-methylsulfonylpyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-methylsulfonylpyrido[4,3-d]pyrimidine
PubChem CID83884276
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name2-methylsulfonylpyrido[4,3-d]pyrimidine
SMILESCS(=O)(=O)c1ncc2cnccc2n1
InChIInChI=1S/C8H7N3O2S/c1-14(12,13)8-10-5-6-4-9-3-2-7(6)11-8/h2-5H,1H3
InChIKeyKKTIDPLSHJTOBJ-UHFFFAOYSA-N
XLogP0.43
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoropyrido[4,3-d]pyrimidine
CID 140973254
2-methylsulfonylfuro[3,2-c]pyridine
CID 118288688
pyrido[4,3-d]pyrimidine;dihydrochloride
CID 57495363
2-methylsulfonyl-8H-pyrimido[4,5-d]pyrimidin-7-one
CID 141021243
quinazoline-2-sulfonyl fluoride
CID 119090579
N-(2-methylsulfonylpyrimidin-5-yl)pyridine-4-carboxamide
CID 175563200
ethane;5-methyl-2-methylsulfonylpyrimidine
CID 176693860
2-methylsulfonylpyrimidine-5-thiol
CID 75480815
1,6-naphthyridin-3-ylmethanesulfonyl chloride
CID 84801776
6-methylsulfonyl-1-phenylpyrazolo[3,4-d]pyrimidine
CID 131865944
(4-methyl-2-methylsulfonylpyrimidin-5-yl)methanol
CID 84721428
4-methylsulfonylpyridin-3-ol
CID 59047439

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylpyrido[4,3-d]pyrimidine?
The IUPAC name of 2-methylsulfonylpyrido[4,3-d]pyrimidine (CID 83884276) is 2-methylsulfonylpyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-methylsulfonylpyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-methylsulfonylpyrido[4,3-d]pyrimidine is CS(=O)(=O)c1ncc2cnccc2n1.
What is the InChIKey of 2-methylsulfonylpyrido[4,3-d]pyrimidine?
The InChIKey is KKTIDPLSHJTOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c1-14(12,13)8-10-5-6-4-9-3-2-7(6)11-8/h2-5H,1H3.
What are the key properties of 2-methylsulfonylpyrido[4,3-d]pyrimidine?
2-methylsulfonylpyrido[4,3-d]pyrimidine has a molecular weight of 209.23 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylpyrido[4,3-d]pyrimidine is sourced from PubChem (CID 83884276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).