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

C13H17N5S — CID 66509348

IUPAC5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ncc(C)s2)cc(C2CCCN2)n1
InChIInChI=1S/C13H17N5S/c1-8-7-15-13(19-8)18-12-6-11(16-9(2)17-12)10-4-3-5-14-10/h6-7,10,14H,3-5H2,1-2H3,(H,15,16,17,18)
InChIKeyJORSDKNCDRUTIR-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.72
Rot. Bonds3

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

5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine (PubChem CID 66509348) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
PubChem CID66509348
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ncc(C)s2)cc(C2CCCN2)n1
InChIInChI=1S/C13H17N5S/c1-8-7-15-13(19-8)18-12-6-11(16-9(2)17-12)10-4-3-5-14-10/h6-7,10,14H,3-5H2,1-2H3,(H,15,16,17,18)
InChIKeyJORSDKNCDRUTIR-UHFFFAOYSA-N
XLogP2.72
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-thiazol-2-amine?
The IUPAC name of 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine (CID 66509348) is 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine is Cc1nc(Nc2ncc(C)s2)cc(C2CCCN2)n1.
What is the InChIKey of 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is JORSDKNCDRUTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-8-7-15-13(19-8)18-12-6-11(16-9(2)17-12)10-4-3-5-14-10/h6-7,10,14H,3-5H2,1-2H3,(H,15,16,17,18).
What are the key properties of 5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine?
5-methyl-N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 275.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 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-thiazol-2-amine is sourced from PubChem (CID 66509348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).