4-chloro-6-(4-fluorophenyl)-2-propylsulfanylpyrimidine-5-carbonitrile

C14H11ClFN3S — CID 6482256

IUPAC4-chloro-6-(4-fluorophenyl)-2-propylsulfanylpyrimidine-5-carbonitrile
SMILESCCCSc1nc(Cl)c(C#N)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H11ClFN3S/c1-2-7-20-14-18-12(11(8-17)13(15)19-14)9-3-5-10(16)6-4-9/h3-6H,2,7H2,1H3
InChIKeyJGYDYOJKLZGFAR-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.31
Rot. Bonds4

About 4-chloro-6-(4-fluorophenyl)-2-propylsulfanylpyrimidine-5-carbonitrile

4-chloro-6-(4-fluorophenyl)-2-propylsulfanylpyrimidine-5-carbonitrile (PubChem CID 6482256) has the molecular formula C14H11ClFN3S and a molecular weight of 307.78 g/mol. Its IUPAC name is 4-chloro-6-(4-fluorophenyl)-2-propylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-6-(4-fluorophenyl)-2-propylsulfanylpyrimidine-5-carbonitrile
PubChem CID6482256
Molecular FormulaC14H11ClFN3S
Molecular Weight307.78 g/mol
Exact Mass307.03
IUPAC Name4-chloro-6-(4-fluorophenyl)-2-propylsulfanylpyrimidine-5-carbonitrile
SMILESCCCSc1nc(Cl)c(C#N)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H11ClFN3S/c1-2-7-20-14-18-12(11(8-17)13(15)19-14)9-3-5-10(16)6-4-9/h3-6H,2,7H2,1H3
InChIKeyJGYDYOJKLZGFAR-UHFFFAOYSA-N
XLogP4.31
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-fluorophenyl)-2-propylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-chloro-6-(4-fluorophenyl)-2-propylsulfanylpyrimidine-5-carbonitrile (CID 6482256) is 4-chloro-6-(4-fluorophenyl)-2-propylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-chloro-6-(4-fluorophenyl)-2-propylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-chloro-6-(4-fluorophenyl)-2-propylsulfanylpyrimidine-5-carbonitrile is CCCSc1nc(Cl)c(C#N)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-chloro-6-(4-fluorophenyl)-2-propylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is JGYDYOJKLZGFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3S/c1-2-7-20-14-18-12(11(8-17)13(15)19-14)9-3-5-10(16)6-4-9/h3-6H,2,7H2,1H3.
What are the key properties of 4-chloro-6-(4-fluorophenyl)-2-propylsulfanylpyrimidine-5-carbonitrile?
4-chloro-6-(4-fluorophenyl)-2-propylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 307.78 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-fluorophenyl)-2-propylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 6482256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).