5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylsulfanyl-1-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione

C18H19N3O4S — CID 23609611

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylsulfanyl-1-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCSc1nc(=O)c2c(n1C)NC(=O)CC2c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H19N3O4S/c1-3-26-18-20-17(23)15-11(9-14(22)19-16(15)21(18)2)10-4-5-12-13(8-10)25-7-6-24-12/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,19,22)
InChIKeyOMGQPYFMKLAHJA-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.14
Rot. Bonds3

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylsulfanyl-1-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylsulfanyl-1-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 23609611) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylsulfanyl-1-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylsulfanyl-1-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID23609611
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylsulfanyl-1-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCSc1nc(=O)c2c(n1C)NC(=O)CC2c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H19N3O4S/c1-3-26-18-20-17(23)15-11(9-14(22)19-16(15)21(18)2)10-4-5-12-13(8-10)25-7-6-24-12/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,19,22)
InChIKeyOMGQPYFMKLAHJA-UHFFFAOYSA-N
XLogP2.14
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylsulfanyl-1-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylsulfanyl-1-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione (CID 23609611) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylsulfanyl-1-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylsulfanyl-1-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylsulfanyl-1-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione is CCSc1nc(=O)c2c(n1C)NC(=O)CC2c1ccc2c(c1)OCCO2.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylsulfanyl-1-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is OMGQPYFMKLAHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-3-26-18-20-17(23)15-11(9-14(22)19-16(15)21(18)2)10-4-5-12-13(8-10)25-7-6-24-12/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,19,22).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylsulfanyl-1-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylsulfanyl-1-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 373.43 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylsulfanyl-1-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 23609611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).