4-(4-fluorophenyl)-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine-5-carbonitrile

C19H21FN4S — CID 71473192

IUPAC4-(4-fluorophenyl)-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine-5-carbonitrile
SMILESCC(C)Sc1nc(-c2ccc(F)cc2)c(C#N)c(N2CCCCC2)n1
InChIInChI=1S/C19H21FN4S/c1-13(2)25-19-22-17(14-6-8-15(20)9-7-14)16(12-21)18(23-19)24-10-4-3-5-11-24/h6-9,13H,3-5,10-11H2,1-2H3
InChIKeyJRRNQEFOKZEGFB-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.65
Rot. Bonds4

About 4-(4-fluorophenyl)-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine-5-carbonitrile

4-(4-fluorophenyl)-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine-5-carbonitrile (PubChem CID 71473192) has the molecular formula C19H21FN4S and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine-5-carbonitrile
PubChem CID71473192
Molecular FormulaC19H21FN4S
Molecular Weight356.47 g/mol
Exact Mass356.15
IUPAC Name4-(4-fluorophenyl)-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine-5-carbonitrile
SMILESCC(C)Sc1nc(-c2ccc(F)cc2)c(C#N)c(N2CCCCC2)n1
InChIInChI=1S/C19H21FN4S/c1-13(2)25-19-22-17(14-6-8-15(20)9-7-14)16(12-21)18(23-19)24-10-4-3-5-11-24/h6-9,13H,3-5,10-11H2,1-2H3
InChIKeyJRRNQEFOKZEGFB-UHFFFAOYSA-N
XLogP4.65
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzonitrile
CID 25130235
4-Morpholino-2-(oxiran-2-ylmethylsulfanyl)-6-phenyl-pyrimidine-5-carbonitrile
CID 45029198
3-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzonitrile
CID 11437850
4-[2-Amino-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzonitrile
CID 25131232
2-(4-Methyl-1-piperazinyl)-6-phenyl-4-pyrimidinecarbonitrile
CID 929445
6-[(4-Methylphenyl)amino]-2-methylthio-4-phenylpyrimidine-5-carbonitrile
CID 16014998
4-(4-Methylpiperazino)-2,6-diphenyl-5-pyrimidinecarbonitrile
CID 1480493
4-(4-Methyl-6-piperidin-1-yl-pyrimidin-2-ylsulfanylmethyl)-benzonitrile
CID 655138
4-(4-Fluorophenyl)-6-(4-methylpiperazino)-2-phenyl-5-pyrimidinecarbonitrile
CID 2767121
4-{[(4-Methyl-6-phenyl-2-pyrimidinyl)thio]methyl}benzonitrile
CID 6457698
6-[(3-Methylphenyl)amino]-2-methylthio-4-phenylpyrimidine-5-carbonitrile
CID 16014983
2-(2-Hydroxy-3-morpholino-propyl)sulfanyl-4-morpholino-6-phenyl-pyrimidine-5-carbonitrile
CID 45028927

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine-5-carbonitrile (CID 71473192) is 4-(4-fluorophenyl)-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine-5-carbonitrile is CC(C)Sc1nc(-c2ccc(F)cc2)c(C#N)c(N2CCCCC2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is JRRNQEFOKZEGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4S/c1-13(2)25-19-22-17(14-6-8-15(20)9-7-14)16(12-21)18(23-19)24-10-4-3-5-11-24/h6-9,13H,3-5,10-11H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine-5-carbonitrile?
4-(4-fluorophenyl)-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 356.47 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-piperidin-1-yl-2-propan-2-ylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 71473192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).