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

C7H8N4S — CID 2726800

IUPAC4-amino-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(C)nc(N)c1C#N
InChIInChI=1S/C7H8N4S/c1-4-10-6(9)5(3-8)7(11-4)12-2/h1-2H3,(H2,9,10,11)
InChIKeyLPSJZNUNABMWIQ-UHFFFAOYSA-N
MW180.24 g/mol
LogP0.96
Rot. Bonds1

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

4-amino-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile (PubChem CID 2726800) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 4-amino-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile
PubChem CID2726800
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name4-amino-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1nc(C)nc(N)c1C#N
InChIInChI=1S/C7H8N4S/c1-4-10-6(9)5(3-8)7(11-4)12-2/h1-2H3,(H2,9,10,11)
InChIKeyLPSJZNUNABMWIQ-UHFFFAOYSA-N
XLogP0.96
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile (CID 2726800) is 4-amino-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile is CSc1nc(C)nc(N)c1C#N.
What is the InChIKey of 4-amino-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is LPSJZNUNABMWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c1-4-10-6(9)5(3-8)7(11-4)12-2/h1-2H3,(H2,9,10,11).
What are the key properties of 4-amino-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile?
4-amino-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 180.24 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-6-methylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 2726800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).