4-(4-fluorophenyl)-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile

C16H15FN4OS — CID 155809027

IUPAC4-(4-fluorophenyl)-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile
SMILESCSc1nc(-c2ccc(F)cc2)c(C#N)c(N2CCOCC2)n1
InChIInChI=1S/C16H15FN4OS/c1-23-16-19-14(11-2-4-12(17)5-3-11)13(10-18)15(20-16)21-6-8-22-9-7-21/h2-5H,6-9H2,1H3
InChIKeyYSYVLJZSGBKMDO-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.71
Rot. Bonds3

About 4-(4-fluorophenyl)-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile

4-(4-fluorophenyl)-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile (PubChem CID 155809027) has the molecular formula C16H15FN4OS and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile
PubChem CID155809027
Molecular FormulaC16H15FN4OS
Molecular Weight330.39 g/mol
Exact Mass330.10
IUPAC Name4-(4-fluorophenyl)-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile
SMILESCSc1nc(-c2ccc(F)cc2)c(C#N)c(N2CCOCC2)n1
InChIInChI=1S/C16H15FN4OS/c1-23-16-19-14(11-2-4-12(17)5-3-11)13(10-18)15(20-16)21-6-8-22-9-7-21/h2-5H,6-9H2,1H3
InChIKeyYSYVLJZSGBKMDO-UHFFFAOYSA-N
XLogP2.71
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluorophenyl)-2-(2-methylpropylsulfanyl)-6-morpholin-4-ylpyrimidine-5-carbonitrile
CID 155812103
4-(4-fluorophenyl)-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-6-morpholin-4-ylpyrimidine-5-carbonitrile
CID 155816411
4-(4-fluorophenyl)-6-morpholin-4-yl-2-[(2E)-2-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinyl]pyrimidine-5-carbonitrile
CID 155813657
4-(4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-5-carbonitrile
CID 3299494
4-[6-(4-fluorophenyl)-3-methyl-1,2,4-triazin-5-yl]morpholine
CID 6405048
4-[2-(4-fluorophenyl)ethynyl]-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbaldehyde
CID 25172125
4-(4-chlorophenyl)-2-methylsulfanyl-6-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
CID 20997604
4-(2-methylsulfanylquinazolin-4-yl)morpholine
CID 658307
2-methylsulfanyl-4-(2-morpholin-4-ylethoxy)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile
CID 22003971
4-chloro-6-(6-hydroxy-1,4-oxazepan-4-yl)-2-methylsulfanylpyrimidine-5-carbonitrile
CID 176675076
4-[4-(4-fluorophenyl)piperidin-1-yl]-6-(2-hydroxyethylamino)-2-methylsulfanylpyrimidine-5-carbonitrile
CID 18753243
2-ethoxy-6-(4-fluorophenyl)-4-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile
CID 102246453

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile (CID 155809027) is 4-(4-fluorophenyl)-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile is CSc1nc(-c2ccc(F)cc2)c(C#N)c(N2CCOCC2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile?
The InChIKey is YSYVLJZSGBKMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4OS/c1-23-16-19-14(11-2-4-12(17)5-3-11)13(10-18)15(20-16)21-6-8-22-9-7-21/h2-5H,6-9H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile?
4-(4-fluorophenyl)-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile has a molecular weight of 330.39 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 155809027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).