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

C18H22N6S2 — CID 175658571

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

5-methyl-N-[6-methyl-2-[(2S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 175658571) has the molecular formula C18H22N6S2 and a molecular weight of 386.55 g/mol. Its IUPAC name is 5-methyl-N-[6-methyl-2-[(2S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 5-methyl-N-[6-methyl-2-[(2S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
• PubChem CID: 175658571
• Molecular Formula: C18H22N6S2
• Molecular Weight: 386.55 g/mol
• Exact Mass: 386.13
• IUPAC Name: 5-methyl-N-[6-methyl-2-[(2S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
• SMILES: Cc1cc(Nc2ncc(C)s2)nc([C@@H]2CCCN2Cc2csc(C)n2)n1
• InChI: InChI=1S/C18H22N6S2/c1-11-7-16(23-18-19-8-12(2)26-18)22-17(20-11)15-5-4-6-24(15)9-14-10-25-13(3)21-14/h7-8,10,15H,4-6,9H2,1-3H3,(H,19,20,22,23)/t15-/m0/s1
• InChIKey: CTVPMFIXDZHOQX-HNNXBMFYSA-N
• XLogP: 4.40
• TPSA: 66.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.55
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-methyl-N-[6-methyl-2-[(2S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 175658571) is 5-methyl-N-[6-methyl-2-[(2S)-1-[(2-methyl-1,3-thiazol-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-[(2S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?

The canonical SMILES for 5-methyl-N-[6-methyl-2-[(2S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1cc(Nc2ncc(C)s2)nc([C@@H]2CCCN2Cc2csc(C)n2)n1.

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

The InChIKey is CTVPMFIXDZHOQX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N6S2/c1-11-7-16(23-18-19-8-12(2)26-18)22-17(20-11)15-5-4-6-24(15)9-14-10-25-13(3)21-14/h7-8,10,15H,4-6,9H2,1-3H3,(H,19,20,22,23)/t15-/m0/s1.

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

5-methyl-N-[6-methyl-2-[(2S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 386.55 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[6-methyl-2-[(2S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 175658571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).