6-ethylsulfanyl-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one

C10H13N3OS — CID 89470350

IUPAC6-ethylsulfanyl-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
SMILESCCSc1cnc2c(c1)C(=O)NCN2C
InChIInChI=1S/C10H13N3OS/c1-3-15-7-4-8-9(11-5-7)13(2)6-12-10(8)14/h4-5H,3,6H2,1-2H3,(H,12,14)
InChIKeyZMRXAPMZAVQEHN-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.33
Rot. Bonds2

About 6-ethylsulfanyl-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one

6-ethylsulfanyl-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one (PubChem CID 89470350) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 6-ethylsulfanyl-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethylsulfanyl-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
PubChem CID89470350
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name6-ethylsulfanyl-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
SMILESCCSc1cnc2c(c1)C(=O)NCN2C
InChIInChI=1S/C10H13N3OS/c1-3-15-7-4-8-9(11-5-7)13(2)6-12-10(8)14/h4-5H,3,6H2,1-2H3,(H,12,14)
InChIKeyZMRXAPMZAVQEHN-UHFFFAOYSA-N
XLogP1.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethylsulfanyl-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one (CID 89470350) is 6-ethylsulfanyl-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethylsulfanyl-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethylsulfanyl-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one is CCSc1cnc2c(c1)C(=O)NCN2C.
What is the InChIKey of 6-ethylsulfanyl-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
The InChIKey is ZMRXAPMZAVQEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-3-15-7-4-8-9(11-5-7)13(2)6-12-10(8)14/h4-5H,3,6H2,1-2H3,(H,12,14).
What are the key properties of 6-ethylsulfanyl-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
6-ethylsulfanyl-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one has a molecular weight of 223.30 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 89470350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).