2-(4-fluorophenyl)-4-methylsulfanyl-5H-chromeno[2,3-d]pyrimidine

C18H13FN2OS — CID 20874781

IUPAC2-(4-fluorophenyl)-4-methylsulfanyl-5H-chromeno[2,3-d]pyrimidine
SMILESCSc1nc(-c2ccc(F)cc2)nc2c1Cc1ccccc1O2
InChIInChI=1S/C18H13FN2OS/c1-23-18-14-10-12-4-2-3-5-15(12)22-17(14)20-16(21-18)11-6-8-13(19)9-7-11/h2-9H,10H2,1H3
InChIKeySVTWFBLYTMUHKU-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.70
Rot. Bonds2

About 2-(4-fluorophenyl)-4-methylsulfanyl-5H-chromeno[2,3-d]pyrimidine

2-(4-fluorophenyl)-4-methylsulfanyl-5H-chromeno[2,3-d]pyrimidine (PubChem CID 20874781) has the molecular formula C18H13FN2OS and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methylsulfanyl-5H-chromeno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methylsulfanyl-5H-chromeno[2,3-d]pyrimidine
PubChem CID20874781
Molecular FormulaC18H13FN2OS
Molecular Weight324.38 g/mol
Exact Mass324.07
IUPAC Name2-(4-fluorophenyl)-4-methylsulfanyl-5H-chromeno[2,3-d]pyrimidine
SMILESCSc1nc(-c2ccc(F)cc2)nc2c1Cc1ccccc1O2
InChIInChI=1S/C18H13FN2OS/c1-23-18-14-10-12-4-2-3-5-15(12)22-17(14)20-16(21-18)11-6-8-13(19)9-7-11/h2-9H,10H2,1H3
InChIKeySVTWFBLYTMUHKU-UHFFFAOYSA-N
XLogP4.70
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-4-methylsulfanyl-5H-chromeno[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-methylsulfanyl-5H-chromeno[2,3-d]pyrimidine?
The IUPAC name of 2-(4-fluorophenyl)-4-methylsulfanyl-5H-chromeno[2,3-d]pyrimidine (CID 20874781) is 2-(4-fluorophenyl)-4-methylsulfanyl-5H-chromeno[2,3-d]pyrimidine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methylsulfanyl-5H-chromeno[2,3-d]pyrimidine?
The canonical SMILES for 2-(4-fluorophenyl)-4-methylsulfanyl-5H-chromeno[2,3-d]pyrimidine is CSc1nc(-c2ccc(F)cc2)nc2c1Cc1ccccc1O2.
What is the InChIKey of 2-(4-fluorophenyl)-4-methylsulfanyl-5H-chromeno[2,3-d]pyrimidine?
The InChIKey is SVTWFBLYTMUHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2OS/c1-23-18-14-10-12-4-2-3-5-15(12)22-17(14)20-16(21-18)11-6-8-13(19)9-7-11/h2-9H,10H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-methylsulfanyl-5H-chromeno[2,3-d]pyrimidine?
2-(4-fluorophenyl)-4-methylsulfanyl-5H-chromeno[2,3-d]pyrimidine has a molecular weight of 324.38 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methylsulfanyl-5H-chromeno[2,3-d]pyrimidine is sourced from PubChem (CID 20874781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).