9-fluoro-2-methyl-5H-thiochromeno[4,3-d]pyrimidine

C12H9FN2S — CID 2741245

IUPAC9-fluoro-2-methyl-5H-thiochromeno[4,3-d]pyrimidine
SMILESCc1ncc2c(n1)-c1cc(F)ccc1SC2
InChIInChI=1S/C12H9FN2S/c1-7-14-5-8-6-16-11-3-2-9(13)4-10(11)12(8)15-7/h2-5H,6H2,1H3
InChIKeyRDRLRKJBABMERQ-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.20
Rot. Bonds

About 9-fluoro-2-methyl-5H-thiochromeno[4,3-d]pyrimidine

9-fluoro-2-methyl-5H-thiochromeno[4,3-d]pyrimidine (PubChem CID 2741245) has the molecular formula C12H9FN2S and a molecular weight of 232.28 g/mol. Its IUPAC name is 9-fluoro-2-methyl-5H-thiochromeno[4,3-d]pyrimidine.

Molecular Properties

Compound Name9-fluoro-2-methyl-5H-thiochromeno[4,3-d]pyrimidine
PubChem CID2741245
Molecular FormulaC12H9FN2S
Molecular Weight232.28 g/mol
Exact Mass232.05
IUPAC Name9-fluoro-2-methyl-5H-thiochromeno[4,3-d]pyrimidine
SMILESCc1ncc2c(n1)-c1cc(F)ccc1SC2
InChIInChI=1S/C12H9FN2S/c1-7-14-5-8-6-16-11-3-2-9(13)4-10(11)12(8)15-7/h2-5H,6H2,1H3
InChIKeyRDRLRKJBABMERQ-UHFFFAOYSA-N
XLogP3.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-2-methyl-5H-thiochromeno[4,3-d]pyrimidine?
The IUPAC name of 9-fluoro-2-methyl-5H-thiochromeno[4,3-d]pyrimidine (CID 2741245) is 9-fluoro-2-methyl-5H-thiochromeno[4,3-d]pyrimidine.
What is the SMILES notation for 9-fluoro-2-methyl-5H-thiochromeno[4,3-d]pyrimidine?
The canonical SMILES for 9-fluoro-2-methyl-5H-thiochromeno[4,3-d]pyrimidine is Cc1ncc2c(n1)-c1cc(F)ccc1SC2.
What is the InChIKey of 9-fluoro-2-methyl-5H-thiochromeno[4,3-d]pyrimidine?
The InChIKey is RDRLRKJBABMERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2S/c1-7-14-5-8-6-16-11-3-2-9(13)4-10(11)12(8)15-7/h2-5H,6H2,1H3.
What are the key properties of 9-fluoro-2-methyl-5H-thiochromeno[4,3-d]pyrimidine?
9-fluoro-2-methyl-5H-thiochromeno[4,3-d]pyrimidine has a molecular weight of 232.28 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-2-methyl-5H-thiochromeno[4,3-d]pyrimidine is sourced from PubChem (CID 2741245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).