4-[(3R)-3-[(3-methoxy-6-methyl-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide

C20H28N6O2 — CID 146112401

About 4-[(3R)-3-[(3-methoxy-6-methyl-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide

4-[(3R)-3-[(3-methoxy-6-methyl-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide (PubChem CID 146112401) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[(3R)-3-[(3-methoxy-6-methyl-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[(3R)-3-[(3-methoxy-6-methyl-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
• PubChem CID: 146112401
• Molecular Formula: C20H28N6O2
• Molecular Weight: 384.48 g/mol
• Exact Mass: 384.23
• IUPAC Name: 4-[(3R)-3-[(3-methoxy-6-methyl-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
• SMILES: CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3nc(C)ccc3OC)C2)n1
• InChI: InChI=1S/C20H28N6O2/c1-12-6-7-17(28-5)16(23-12)10-22-15-8-9-26(11-15)19-13(2)14(3)24-18(25-19)20(27)21-4/h6-7,15,22H,8-11H2,1-5H3,(H,21,27)/t15-/m1/s1
• InChIKey: BEDMOPVUGCJGHT-OAHLLOKOSA-N
• XLogP: 1.53
• TPSA: 92.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.48
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[(3-methoxy-6-methyl-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide?

The IUPAC name of 4-[(3R)-3-[(3-methoxy-6-methyl-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide (CID 146112401) is 4-[(3R)-3-[(3-methoxy-6-methyl-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide.

What is the SMILES notation for 4-[(3R)-3-[(3-methoxy-6-methyl-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide?

The canonical SMILES for 4-[(3R)-3-[(3-methoxy-6-methyl-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide is CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3nc(C)ccc3OC)C2)n1.

What is the InChIKey of 4-[(3R)-3-[(3-methoxy-6-methyl-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide?

The InChIKey is BEDMOPVUGCJGHT-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-12-6-7-17(28-5)16(23-12)10-22-15-8-9-26(11-15)19-13(2)14(3)24-18(25-19)20(27)21-4/h6-7,15,22H,8-11H2,1-5H3,(H,21,27)/t15-/m1/s1.

What are the key properties of 4-[(3R)-3-[(3-methoxy-6-methyl-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide?

4-[(3R)-3-[(3-methoxy-6-methyl-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3R)-3-[(3-methoxy-6-methyl-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide is sourced from PubChem (CID 146112401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).