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

C23H30N8S — CID 175659550

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

5-methyl-N-[6-methyl-2-[1-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 175659550) has the molecular formula C23H30N8S and a molecular weight of 450.62 g/mol. Its IUPAC name is 5-methyl-N-[6-methyl-2-[1-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 5-methyl-N-[6-methyl-2-[1-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
• PubChem CID: 175659550
• Molecular Formula: C23H30N8S
• Molecular Weight: 450.62 g/mol
• Exact Mass: 450.23
• IUPAC Name: 5-methyl-N-[6-methyl-2-[1-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
• SMILES: Cc1cc(Nc2ncc(C)s2)nc(C2CCCN2Cc2ccnc(N3CCCCC3)n2)n1
• InChI: InChI=1S/C23H30N8S/c1-16-13-20(29-23-25-14-17(2)32-23)28-21(26-16)19-7-6-12-31(19)15-18-8-9-24-22(27-18)30-10-4-3-5-11-30/h8-9,13-14,19H,3-7,10-12,15H2,1-2H3,(H,25,26,28,29)
• InChIKey: GZNDCHHKSSJZRV-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 82.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.62
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[6-methyl-2-[1-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?

The IUPAC name of 5-methyl-N-[6-methyl-2-[1-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 175659550) is 5-methyl-N-[6-methyl-2-[1-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.

What is the SMILES notation for 5-methyl-N-[6-methyl-2-[1-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?

The canonical SMILES for 5-methyl-N-[6-methyl-2-[1-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1cc(Nc2ncc(C)s2)nc(C2CCCN2Cc2ccnc(N3CCCCC3)n2)n1.

What is the InChIKey of 5-methyl-N-[6-methyl-2-[1-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?

The InChIKey is GZNDCHHKSSJZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8S/c1-16-13-20(29-23-25-14-17(2)32-23)28-21(26-16)19-7-6-12-31(19)15-18-8-9-24-22(27-18)30-10-4-3-5-11-30/h8-9,13-14,19H,3-7,10-12,15H2,1-2H3,(H,25,26,28,29).

What are the key properties of 5-methyl-N-[6-methyl-2-[1-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?

5-methyl-N-[6-methyl-2-[1-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 450.62 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[6-methyl-2-[1-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 175659550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).