2-methylsulfanyl-6-propan-2-ylpyrido[4,3-d]pyrimidin-5-one

C11H13N3OS — CID 20855171

IUPAC2-methylsulfanyl-6-propan-2-ylpyrido[4,3-d]pyrimidin-5-one
SMILESCSc1ncc2c(=O)n(C(C)C)ccc2n1
InChIInChI=1S/C11H13N3OS/c1-7(2)14-5-4-9-8(10(14)15)6-12-11(13-9)16-3/h4-7H,1-3H3
InChIKeyJMRVLOBGANPHJH-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.09
Rot. Bonds2

About 2-methylsulfanyl-6-propan-2-ylpyrido[4,3-d]pyrimidin-5-one

2-methylsulfanyl-6-propan-2-ylpyrido[4,3-d]pyrimidin-5-one (PubChem CID 20855171) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-methylsulfanyl-6-propan-2-ylpyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-methylsulfanyl-6-propan-2-ylpyrido[4,3-d]pyrimidin-5-one
PubChem CID20855171
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-methylsulfanyl-6-propan-2-ylpyrido[4,3-d]pyrimidin-5-one
SMILESCSc1ncc2c(=O)n(C(C)C)ccc2n1
InChIInChI=1S/C11H13N3OS/c1-7(2)14-5-4-9-8(10(14)15)6-12-11(13-9)16-3/h4-7H,1-3H3
InChIKeyJMRVLOBGANPHJH-UHFFFAOYSA-N
XLogP2.09
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylsulfanyl)-5H,6H-pyrido(4,3-d)pyrimidin-5-one
CID 45106207
5H,6H-pyrido(4,3-d)pyrimidin-5-one
CID 12624212
2-(Dimethylamino)-6-Methyl-Pyrido[4,3-D]pyrimidin-5-One
CID 53017606
7-methyl-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
CID 16653527
N-cyclohexyl-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
CID 6625920
Ethyl 2-(2-methylsulfanyl-5-oxopyrido[4,3-d]pyrimidin-6-yl)acetate
CID 20855138
6-(2-Methoxyethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one
CID 45106158
Ethyl 4-(2-methylsulfanyl-5-oxopyrido[4,3-d]pyrimidin-6-yl)piperidine-1-carboxylate
CID 45106193
2-Methylsulfanyl-6-(oxolan-2-ylmethyl)pyrido[4,3-d]pyrimidin-5-one
CID 45106200
6-cyclopentyl-2-(4-methyl-1-piperazinyl)pyrido[4,3-d]pyrimidin-5(6H)-one
CID 17190780
2-(fluoromethyl)-6H-pyrido[4,3-d]pyrimidin-5-one
CID 159669855
8-Bromo-6-(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one
CID 166160088

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-propan-2-ylpyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-methylsulfanyl-6-propan-2-ylpyrido[4,3-d]pyrimidin-5-one (CID 20855171) is 2-methylsulfanyl-6-propan-2-ylpyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-methylsulfanyl-6-propan-2-ylpyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-methylsulfanyl-6-propan-2-ylpyrido[4,3-d]pyrimidin-5-one is CSc1ncc2c(=O)n(C(C)C)ccc2n1.
What is the InChIKey of 2-methylsulfanyl-6-propan-2-ylpyrido[4,3-d]pyrimidin-5-one?
The InChIKey is JMRVLOBGANPHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7(2)14-5-4-9-8(10(14)15)6-12-11(13-9)16-3/h4-7H,1-3H3.
What are the key properties of 2-methylsulfanyl-6-propan-2-ylpyrido[4,3-d]pyrimidin-5-one?
2-methylsulfanyl-6-propan-2-ylpyrido[4,3-d]pyrimidin-5-one has a molecular weight of 235.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-propan-2-ylpyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 20855171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).