6-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine

C17H26N8O — CID 95867996

About 6-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine

6-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 95867996) has the molecular formula C17H26N8O and a molecular weight of 358.45 g/mol. Its IUPAC name is 6-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
• PubChem CID: 95867996
• Molecular Formula: C17H26N8O
• Molecular Weight: 358.45 g/mol
• Exact Mass: 358.22
• IUPAC Name: 6-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
• SMILES: Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(c2cc(N)ncn2)C1
• InChI: InChI=1S/C17H26N8O/c1-23-16(11-24-5-7-26-8-6-24)21-22-17(23)13-3-2-4-25(10-13)15-9-14(18)19-12-20-15/h9,12-13H,2-8,10-11H2,1H3,(H2,18,19,20)/t13-/m1/s1
• InChIKey: GNUBIBSMQXHYJU-CYBMUJFWSA-N
• XLogP: 0.40
• TPSA: 98.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.45
LogP ≤ 5	0.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine?

The IUPAC name of 6-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine (CID 95867996) is 6-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine.

What is the SMILES notation for 6-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine?

The canonical SMILES for 6-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine is Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(c2cc(N)ncn2)C1.

What is the InChIKey of 6-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine?

The InChIKey is GNUBIBSMQXHYJU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N8O/c1-23-16(11-24-5-7-26-8-6-24)21-22-17(23)13-3-2-4-25(10-13)15-9-14(18)19-12-20-15/h9,12-13H,2-8,10-11H2,1H3,(H2,18,19,20)/t13-/m1/s1.

What are the key properties of 6-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine?

6-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 358.45 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 95867996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).