4-chloro-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile

C7H6ClN3S — CID 2735723

IUPAC4-chloro-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(C)nc(Cl)c1C#N
InChIInChI=1S/C7H6ClN3S/c1-4-10-6(8)5(3-9)7(11-4)12-2/h1-2H3
InChIKeyFCAZUZBAZMYJPW-UHFFFAOYSA-N
MW199.67 g/mol
LogP2.03
Rot. Bonds1

About 4-chloro-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile

4-chloro-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile (PubChem CID 2735723) has the molecular formula C7H6ClN3S and a molecular weight of 199.67 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile
PubChem CID2735723
Molecular FormulaC7H6ClN3S
Molecular Weight199.67 g/mol
Exact Mass199.00
IUPAC Name4-chloro-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(C)nc(Cl)c1C#N
InChIInChI=1S/C7H6ClN3S/c1-4-10-6(8)5(3-9)7(11-4)12-2/h1-2H3
InChIKeyFCAZUZBAZMYJPW-UHFFFAOYSA-N
XLogP2.03
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.67
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-chloro-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile (CID 2735723) is 4-chloro-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-chloro-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile is CSc1nc(C)nc(Cl)c1C#N.
What is the InChIKey of 4-chloro-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is FCAZUZBAZMYJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3S/c1-4-10-6(8)5(3-9)7(11-4)12-2/h1-2H3.
What are the key properties of 4-chloro-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile?
4-chloro-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 199.67 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 2735723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).