4-chloro-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile

C10H6ClN3S2 — CID 507172

IUPAC4-chloro-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile
SMILESCSc1nc(Cl)c(C#N)c(-c2cccs2)n1
InChIInChI=1S/C10H6ClN3S2/c1-15-10-13-8(7-3-2-4-16-7)6(5-12)9(11)14-10/h2-4H,1H3
InChIKeyQFDZILYOGDUWJG-UHFFFAOYSA-N
MW267.77 g/mol
LogP3.45
Rot. Bonds2

About 4-chloro-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile

4-chloro-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile (PubChem CID 507172) has the molecular formula C10H6ClN3S2 and a molecular weight of 267.77 g/mol. Its IUPAC name is 4-chloro-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile
PubChem CID507172
Molecular FormulaC10H6ClN3S2
Molecular Weight267.77 g/mol
Exact Mass266.97
IUPAC Name4-chloro-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile
SMILESCSc1nc(Cl)c(C#N)c(-c2cccs2)n1
InChIInChI=1S/C10H6ClN3S2/c1-15-10-13-8(7-3-2-4-16-7)6(5-12)9(11)14-10/h2-4H,1H3
InChIKeyQFDZILYOGDUWJG-UHFFFAOYSA-N
XLogP3.45
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.77
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile?
The IUPAC name of 4-chloro-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile (CID 507172) is 4-chloro-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-chloro-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile is CSc1nc(Cl)c(C#N)c(-c2cccs2)n1.
What is the InChIKey of 4-chloro-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile?
The InChIKey is QFDZILYOGDUWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3S2/c1-15-10-13-8(7-3-2-4-16-7)6(5-12)9(11)14-10/h2-4H,1H3.
What are the key properties of 4-chloro-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile?
4-chloro-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile has a molecular weight of 267.77 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 507172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).