tert-butyl (3R)-3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidine-1-carboxylate

C19H27N5O2S — CID 95843277

About tert-butyl (3R)-3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidine-1-carboxylate

tert-butyl (3R)-3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidine-1-carboxylate (PubChem CID 95843277) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (3R)-3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidine-1-carboxylate
• PubChem CID: 95843277
• Molecular Formula: C19H27N5O2S
• Molecular Weight: 389.53 g/mol
• Exact Mass: 389.19
• IUPAC Name: tert-butyl (3R)-3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidine-1-carboxylate
• SMILES: Cc1cnc(Nc2cc(C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)ncn2)s1
• InChI: InChI=1S/C19H27N5O2S/c1-13-10-20-17(27-13)23-16-9-15(21-12-22-16)8-14-6-5-7-24(11-14)18(25)26-19(2,3)4/h9-10,12,14H,5-8,11H2,1-4H3,(H,20,21,22,23)/t14-/m1/s1
• InChIKey: YIVWNLDQXLWVQQ-CQSZACIVSA-N
• XLogP: 4.17
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.53
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl (3R)-3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidine-1-carboxylate (CID 95843277) is tert-butyl (3R)-3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl (3R)-3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl (3R)-3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidine-1-carboxylate is Cc1cnc(Nc2cc(C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)ncn2)s1.

What is the InChIKey of tert-butyl (3R)-3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidine-1-carboxylate?

The InChIKey is YIVWNLDQXLWVQQ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-13-10-20-17(27-13)23-16-9-15(21-12-22-16)8-14-6-5-7-24(11-14)18(25)26-19(2,3)4/h9-10,12,14H,5-8,11H2,1-4H3,(H,20,21,22,23)/t14-/m1/s1.

What are the key properties of tert-butyl (3R)-3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidine-1-carboxylate?

tert-butyl (3R)-3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidine-1-carboxylate has a molecular weight of 389.53 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R)-3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 95843277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).