4-[(3R)-3-[(3-cyclopropyl-1-methylpyrazol-5-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide

C20H29N7O — CID 146111707

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

4-[(3R)-3-[(3-cyclopropyl-1-methylpyrazol-5-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide (PubChem CID 146111707) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is 4-[(3R)-3-[(3-cyclopropyl-1-methylpyrazol-5-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[(3R)-3-[(3-cyclopropyl-1-methylpyrazol-5-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
• PubChem CID: 146111707
• Molecular Formula: C20H29N7O
• Molecular Weight: 383.50 g/mol
• Exact Mass: 383.24
• IUPAC Name: 4-[(3R)-3-[(3-cyclopropyl-1-methylpyrazol-5-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
• SMILES: CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cc(C4CC4)nn3C)C2)n1
• InChI: InChI=1S/C20H29N7O/c1-12-13(2)23-18(20(28)21-3)24-19(12)27-8-7-15(11-27)22-10-16-9-17(14-5-6-14)25-26(16)4/h9,14-15,22H,5-8,10-11H2,1-4H3,(H,21,28)/t15-/m1/s1
• InChIKey: XNOIFVXGXWHFDA-OAHLLOKOSA-N
• XLogP: 1.43
• TPSA: 87.97 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	383.50
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[(3R)-3-[(3-cyclopropyl-1-methylpyrazol-5-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide (CID 146111707) is 4-[(3R)-3-[(3-cyclopropyl-1-methylpyrazol-5-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide.

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

The canonical SMILES for 4-[(3R)-3-[(3-cyclopropyl-1-methylpyrazol-5-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide is CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cc(C4CC4)nn3C)C2)n1.

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

The InChIKey is XNOIFVXGXWHFDA-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H29N7O/c1-12-13(2)23-18(20(28)21-3)24-19(12)27-8-7-15(11-27)22-10-16-9-17(14-5-6-14)25-26(16)4/h9,14-15,22H,5-8,10-11H2,1-4H3,(H,21,28)/t15-/m1/s1.

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

4-[(3R)-3-[(3-cyclopropyl-1-methylpyrazol-5-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 1.43, 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-cyclopropyl-1-methylpyrazol-5-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide is sourced from PubChem (CID 146111707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).