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

C19H22N6S — CID 175658940

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

5-methyl-N-[2-[(2S)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 175658940) has the molecular formula C19H22N6S and a molecular weight of 366.49 g/mol. Its IUPAC name is 5-methyl-N-[2-[(2S)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 5-methyl-N-[2-[(2S)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
• PubChem CID: 175658940
• Molecular Formula: C19H22N6S
• Molecular Weight: 366.49 g/mol
• Exact Mass: 366.16
• IUPAC Name: 5-methyl-N-[2-[(2S)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
• SMILES: Cc1cnc(Nc2ccnc([C@@H]3CCCN3Cc3ncccc3C)n2)s1
• InChI: InChI=1S/C19H22N6S/c1-13-5-3-8-20-15(13)12-25-10-4-6-16(25)18-21-9-7-17(23-18)24-19-22-11-14(2)26-19/h3,5,7-9,11,16H,4,6,10,12H2,1-2H3,(H,21,22,23,24)/t16-/m0/s1
• InChIKey: UNOHVYJQGLXZCI-INIZCTEOSA-N
• XLogP: 4.03
• TPSA: 66.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.49
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-methyl-N-[2-[(2S)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 175658940) is 5-methyl-N-[2-[(2S)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.

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

The canonical SMILES for 5-methyl-N-[2-[(2S)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1cnc(Nc2ccnc([C@@H]3CCCN3Cc3ncccc3C)n2)s1.

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

The InChIKey is UNOHVYJQGLXZCI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N6S/c1-13-5-3-8-20-15(13)12-25-10-4-6-16(25)18-21-9-7-17(23-18)24-19-22-11-14(2)26-19/h3,5,7-9,11,16H,4,6,10,12H2,1-2H3,(H,21,22,23,24)/t16-/m0/s1.

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

5-methyl-N-[2-[(2S)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 366.49 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[2-[(2S)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 175658940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).