1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

C14H17N5OS — CID 110095428

About 1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110095428) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
• PubChem CID: 110095428
• Molecular Formula: C14H17N5OS
• Molecular Weight: 303.39 g/mol
• Exact Mass: 303.12
• IUPAC Name: 1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC(c2cc(Nc3nccs3)nc(C)n2)C1
• InChI: InChI=1S/C14H17N5OS/c1-9-16-12(11-3-5-19(8-11)10(2)20)7-13(17-9)18-14-15-4-6-21-14/h4,6-7,11H,3,5,8H2,1-2H3,(H,15,16,17,18)
• InChIKey: KJWCBMWAHZOERV-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.39
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?

The IUPAC name of 1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (CID 110095428) is 1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.

What is the SMILES notation for 1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?

The canonical SMILES for 1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(c2cc(Nc3nccs3)nc(C)n2)C1.

What is the InChIKey of 1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?

The InChIKey is KJWCBMWAHZOERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-9-16-12(11-3-5-19(8-11)10(2)20)7-13(17-9)18-14-15-4-6-21-14/h4,6-7,11H,3,5,8H2,1-2H3,(H,15,16,17,18).

What are the key properties of 1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?

1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 303.39 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110095428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).