2-ethyl-3-(furan-2-ylmethyl)thiochromeno[2,3-d]pyrimidine-4,5-dione

C18H14N2O3S — CID 666333

IUPAC2-ethyl-3-(furan-2-ylmethyl)thiochromeno[2,3-d]pyrimidine-4,5-dione
SMILESCCc1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccco1
InChIInChI=1S/C18H14N2O3S/c1-2-14-19-17-15(16(21)12-7-3-4-8-13(12)24-17)18(22)20(14)10-11-6-5-9-23-11/h3-9H,2,10H2,1H3
InChIKeyRYRVQVALQWHMRK-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.18
Rot. Bonds3

About 2-ethyl-3-(furan-2-ylmethyl)thiochromeno[2,3-d]pyrimidine-4,5-dione

2-ethyl-3-(furan-2-ylmethyl)thiochromeno[2,3-d]pyrimidine-4,5-dione (PubChem CID 666333) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-ethyl-3-(furan-2-ylmethyl)thiochromeno[2,3-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name2-ethyl-3-(furan-2-ylmethyl)thiochromeno[2,3-d]pyrimidine-4,5-dione
PubChem CID666333
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC Name2-ethyl-3-(furan-2-ylmethyl)thiochromeno[2,3-d]pyrimidine-4,5-dione
SMILESCCc1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccco1
InChIInChI=1S/C18H14N2O3S/c1-2-14-19-17-15(16(21)12-7-3-4-8-13(12)24-17)18(22)20(14)10-11-6-5-9-23-11/h3-9H,2,10H2,1H3
InChIKeyRYRVQVALQWHMRK-UHFFFAOYSA-N
XLogP3.18
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(furan-2-ylmethyl)thiochromeno[2,3-d]pyrimidine-4,5-dione?
The IUPAC name of 2-ethyl-3-(furan-2-ylmethyl)thiochromeno[2,3-d]pyrimidine-4,5-dione (CID 666333) is 2-ethyl-3-(furan-2-ylmethyl)thiochromeno[2,3-d]pyrimidine-4,5-dione.
What is the SMILES notation for 2-ethyl-3-(furan-2-ylmethyl)thiochromeno[2,3-d]pyrimidine-4,5-dione?
The canonical SMILES for 2-ethyl-3-(furan-2-ylmethyl)thiochromeno[2,3-d]pyrimidine-4,5-dione is CCc1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccco1.
What is the InChIKey of 2-ethyl-3-(furan-2-ylmethyl)thiochromeno[2,3-d]pyrimidine-4,5-dione?
The InChIKey is RYRVQVALQWHMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c1-2-14-19-17-15(16(21)12-7-3-4-8-13(12)24-17)18(22)20(14)10-11-6-5-9-23-11/h3-9H,2,10H2,1H3.
What are the key properties of 2-ethyl-3-(furan-2-ylmethyl)thiochromeno[2,3-d]pyrimidine-4,5-dione?
2-ethyl-3-(furan-2-ylmethyl)thiochromeno[2,3-d]pyrimidine-4,5-dione has a molecular weight of 338.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(furan-2-ylmethyl)thiochromeno[2,3-d]pyrimidine-4,5-dione is sourced from PubChem (CID 666333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).