4-[(3R)-3-[(5-fluoro-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide

C19H25FN6O — CID 146111977

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

4-[(3R)-3-[(5-fluoro-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide (PubChem CID 146111977) has the molecular formula C19H25FN6O and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-[(3R)-3-[(5-fluoro-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[(3R)-3-[(5-fluoro-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
• PubChem CID: 146111977
• Molecular Formula: C19H25FN6O
• Molecular Weight: 372.45 g/mol
• Exact Mass: 372.21
• IUPAC Name: 4-[(3R)-3-[(5-fluoro-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
• SMILES: Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3ccc(F)cn3)C2)c1C
• InChI: InChI=1S/C19H25FN6O/c1-12-13(2)23-17(19(27)25(3)4)24-18(12)26-8-7-16(11-26)22-10-15-6-5-14(20)9-21-15/h5-6,9,16,22H,7-8,10-11H2,1-4H3/t16-/m1/s1
• InChIKey: TXUXCWSEMZKOQR-MRXNPFEDSA-N
• XLogP: 1.70
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.45
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[(3R)-3-[(5-fluoro-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide (CID 146111977) is 4-[(3R)-3-[(5-fluoro-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide.

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

The canonical SMILES for 4-[(3R)-3-[(5-fluoro-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide is Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3ccc(F)cn3)C2)c1C.

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

The InChIKey is TXUXCWSEMZKOQR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25FN6O/c1-12-13(2)23-17(19(27)25(3)4)24-18(12)26-8-7-16(11-26)22-10-15-6-5-14(20)9-21-15/h5-6,9,16,22H,7-8,10-11H2,1-4H3/t16-/m1/s1.

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

4-[(3R)-3-[(5-fluoro-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3R)-3-[(5-fluoro-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide is sourced from PubChem (CID 146111977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).