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

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Related Compounds

N-Phenyl-2-({2-phenyl-5H-chromeno[2,3-D]pyrimidin-4-YL}sulfanyl)acetamide
CID 6622688
2-({2-Phenyl-5H-chromeno[2,3-D]pyrimidin-4-YL}sulfanyl)-1-(piperidin-1-YL)ethan-1-one
CID 16009767
1-Propanamine, N,N-dimethyl-3-[(2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)thio]-
CID 13490961
1-Propanamine, N,N-dimethyl-3-((2-(4-methylphenyl)-5H-(1)benzopyrano(2,3-d)pyrimidin-4-yl)thio)-
CID 13490974
5H-(1)Benzopyrano(2,3-d)pyrimidine, 2-(4-methylphenyl)-4-((3-(4-morpholinyl)propyl)thio)-
CID 13490978
1-Propanamine, N-methyl-3-((2-(4-methylphenyl)-5H-(1)benzopyrano(2,3-d)pyrimidin-4-yl)thio)-
CID 13490980
2-((2-(4-methoxyphenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl)thio)-1-(piperidin-1-yl)ethanone
CID 2136987
N-(2-Fluorophenyl)-2-{[2-(4-methoxyphenyl)-7-methyl-5H-chromeno[2,3-D]pyrimidin-4-YL]sulfanyl}acetamide
CID 16009787
2-((2-(4-ethoxyphenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl)thio)-1-(piperidin-1-yl)ethanone
CID 16009808
2-{[2-(4-Methoxyphenyl)-7-methyl-5H-chromeno[2,3-D]pyrimidin-4-YL]sulfanyl}-N-methyl-N-phenylacetamide
CID 2137354
2-{[2-(4-Fluorophenyl)-7-methyl-5H-chromeno[2,3-D]pyrimidin-4-YL]sulfanyl}-1-(piperidin-1-YL)ethan-1-one
CID 16009832
2-{[2-(4-Ethoxyphenyl)-5H-chromeno[2,3-D]pyrimidin-4-YL]sulfanyl}-N-(2-methylphenyl)acetamide
CID 2136361

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).