4-cyclopropyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one

C11H11N3OS — CID 90939451

IUPAC4-cyclopropyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCSc1nc(C2CC2)c2ccc(=O)[nH]c2n1
InChIInChI=1S/C11H11N3OS/c1-16-11-13-9(6-2-3-6)7-4-5-8(15)12-10(7)14-11/h4-6H,2-3H2,1H3,(H,12,13,14,15)
InChIKeyRZBZXRIKVKNQRW-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.92
Rot. Bonds2

About 4-cyclopropyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one

4-cyclopropyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 90939451) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 4-cyclopropyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-cyclopropyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID90939451
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name4-cyclopropyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCSc1nc(C2CC2)c2ccc(=O)[nH]c2n1
InChIInChI=1S/C11H11N3OS/c1-16-11-13-9(6-2-3-6)7-4-5-8(15)12-10(7)14-11/h4-6H,2-3H2,1H3,(H,12,13,14,15)
InChIKeyRZBZXRIKVKNQRW-UHFFFAOYSA-N
XLogP1.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 12795380
6-fluoro-2-methanesulfonyl-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 21073456
4-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 69943817
2,4,5-trimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 134987193
2-Methanesulfonyl-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 21073277
2-(Methylthio)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 21073406
2-Amino-4-methylpyrido[2,3-D]pyrimidin-7(8H)-one
CID 44713836
8-ethyl-4-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 57606955
4-pentyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 58710516
6-bromo-4-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 59258909
4-propyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 59421461
4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 59421489

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-cyclopropyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one (CID 90939451) is 4-cyclopropyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-cyclopropyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-cyclopropyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one is CSc1nc(C2CC2)c2ccc(=O)[nH]c2n1.
What is the InChIKey of 4-cyclopropyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RZBZXRIKVKNQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-16-11-13-9(6-2-3-6)7-4-5-8(15)12-10(7)14-11/h4-6H,2-3H2,1H3,(H,12,13,14,15).
What are the key properties of 4-cyclopropyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
4-cyclopropyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 233.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 90939451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).