4-(dimethylamino)-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile

C9H12N4S — CID 2801175

IUPAC4-(dimethylamino)-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(C)nc(N(C)C)c1C#N
InChIInChI=1S/C9H12N4S/c1-6-11-8(13(2)3)7(5-10)9(12-6)14-4/h1-4H3
InChIKeyKUIJIKNUSBUVRA-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.44
Rot. Bonds2

About 4-(dimethylamino)-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile

4-(dimethylamino)-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile (PubChem CID 2801175) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 4-(dimethylamino)-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile
PubChem CID2801175
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name4-(dimethylamino)-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(C)nc(N(C)C)c1C#N
InChIInChI=1S/C9H12N4S/c1-6-11-8(13(2)3)7(5-10)9(12-6)14-4/h1-4H3
InChIKeyKUIJIKNUSBUVRA-UHFFFAOYSA-N
XLogP1.44
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-(dimethylamino)-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile (CID 2801175) is 4-(dimethylamino)-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile is CSc1nc(C)nc(N(C)C)c1C#N.
What is the InChIKey of 4-(dimethylamino)-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is KUIJIKNUSBUVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-6-11-8(13(2)3)7(5-10)9(12-6)14-4/h1-4H3.
What are the key properties of 4-(dimethylamino)-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile?
4-(dimethylamino)-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 208.29 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 2801175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).