N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine

C17H25N5O2 — CID 136713538

About N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine

N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine (PubChem CID 136713538) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine.

Molecular Properties

• Compound Name: N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
• PubChem CID: 136713538
• Molecular Formula: C17H25N5O2
• Molecular Weight: 331.42 g/mol
• Exact Mass: 331.20
• IUPAC Name: N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
• SMILES: COCCOc1ccc(CNC[C@@H]2CNc3cc(C)nn3C2)cn1
• InChI: InChI=1S/C17H25N5O2/c1-13-7-16-19-11-15(12-22(16)21-13)9-18-8-14-3-4-17(20-10-14)24-6-5-23-2/h3-4,7,10,15,18-19H,5-6,8-9,11-12H2,1-2H3/t15-/m1/s1
• InChIKey: DCRGYNUVNANLRS-OAHLLOKOSA-N
• XLogP: 1.44
• TPSA: 73.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.42
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine?

The IUPAC name of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine (CID 136713538) is N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine.

What is the SMILES notation for N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine?

The canonical SMILES for N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine is COCCOc1ccc(CNC[C@@H]2CNc3cc(C)nn3C2)cn1.

What is the InChIKey of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine?

The InChIKey is DCRGYNUVNANLRS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-13-7-16-19-11-15(12-22(16)21-13)9-18-8-14-3-4-17(20-10-14)24-6-5-23-2/h3-4,7,10,15,18-19H,5-6,8-9,11-12H2,1-2H3/t15-/m1/s1.

What are the key properties of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine?

N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine has a molecular weight of 331.42 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine is sourced from PubChem (CID 136713538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).