5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine

C12H16N6S — CID 110269442

IUPAC5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCc1nc(Nc2nnc(C)s2)cc(C2CCCN2)n1
InChIInChI=1S/C12H16N6S/c1-7-14-10(9-4-3-5-13-9)6-11(15-7)16-12-18-17-8(2)19-12/h6,9,13H,3-5H2,1-2H3,(H,14,15,16,18)
InChIKeyFSAQXJNUQGHHPK-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.11
Rot. Bonds3

About 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine

5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 110269442) has the molecular formula C12H16N6S and a molecular weight of 276.37 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine
PubChem CID110269442
Molecular FormulaC12H16N6S
Molecular Weight276.37 g/mol
Exact Mass276.12
IUPAC Name5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCc1nc(Nc2nnc(C)s2)cc(C2CCCN2)n1
InChIInChI=1S/C12H16N6S/c1-7-14-10(9-4-3-5-13-9)6-11(15-7)16-12-18-17-8(2)19-12/h6,9,13H,3-5H2,1-2H3,(H,14,15,16,18)
InChIKeyFSAQXJNUQGHHPK-UHFFFAOYSA-N
XLogP2.11
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine (CID 110269442) is 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine is Cc1nc(Nc2nnc(C)s2)cc(C2CCCN2)n1.
What is the InChIKey of 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FSAQXJNUQGHHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6S/c1-7-14-10(9-4-3-5-13-9)6-11(15-7)16-12-18-17-8(2)19-12/h6,9,13H,3-5H2,1-2H3,(H,14,15,16,18).
What are the key properties of 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine?
5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 276.37 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 110269442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).