6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbonitrile

C9H8N6S — CID 107545313

IUPAC6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Nc2nc(C)ns2)n1
InChIInChI=1S/C9H8N6S/c1-5-3-7(4-10)13-8(11-5)14-9-12-6(2)15-16-9/h3H,1-2H3,(H,11,12,13,14,15)
InChIKeyDPPMITFKAQKELH-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.56
Rot. Bonds2

About 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbonitrile

6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbonitrile (PubChem CID 107545313) has the molecular formula C9H8N6S and a molecular weight of 232.27 g/mol. Its IUPAC name is 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbonitrile
PubChem CID107545313
Molecular FormulaC9H8N6S
Molecular Weight232.27 g/mol
Exact Mass232.05
IUPAC Name6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Nc2nc(C)ns2)n1
InChIInChI=1S/C9H8N6S/c1-5-3-7(4-10)13-8(11-5)14-9-12-6(2)15-16-9/h3H,1-2H3,(H,11,12,13,14,15)
InChIKeyDPPMITFKAQKELH-UHFFFAOYSA-N
XLogP1.56
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbonitrile (CID 107545313) is 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(Nc2nc(C)ns2)n1.
What is the InChIKey of 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbonitrile?
The InChIKey is DPPMITFKAQKELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6S/c1-5-3-7(4-10)13-8(11-5)14-9-12-6(2)15-16-9/h3H,1-2H3,(H,11,12,13,14,15).
What are the key properties of 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbonitrile?
6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbonitrile has a molecular weight of 232.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107545313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).