N-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine

C16H20N8S — CID 110255678

About N-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine

N-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 110255678) has the molecular formula C16H20N8S and a molecular weight of 356.46 g/mol. Its IUPAC name is N-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: N-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
• PubChem CID: 110255678
• Molecular Formula: C16H20N8S
• Molecular Weight: 356.46 g/mol
• Exact Mass: 356.15
• IUPAC Name: N-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
• SMILES: Cc1nc(Nc2nncs2)cc(C2CCCN2Cc2cnn(C)c2)n1
• InChI: InChI=1S/C16H20N8S/c1-11-19-13(6-15(20-11)21-16-22-17-10-25-16)14-4-3-5-24(14)9-12-7-18-23(2)8-12/h6-8,10,14H,3-5,9H2,1-2H3,(H,19,20,21,22)
• InChIKey: CDKLHJFBAUWJOP-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 84.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.46
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?

The IUPAC name of N-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine (CID 110255678) is N-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine.

What is the SMILES notation for N-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?

The canonical SMILES for N-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine is Cc1nc(Nc2nncs2)cc(C2CCCN2Cc2cnn(C)c2)n1.

What is the InChIKey of N-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?

The InChIKey is CDKLHJFBAUWJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8S/c1-11-19-13(6-15(20-11)21-16-22-17-10-25-16)14-4-3-5-24(14)9-12-7-18-23(2)8-12/h6-8,10,14H,3-5,9H2,1-2H3,(H,19,20,21,22).

What are the key properties of N-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?

N-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 356.46 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 110255678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).