[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(6-propan-2-yl-3-pyridinyl)methanone

C19H26N6O — CID 154799862

About [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(6-propan-2-yl-3-pyridinyl)methanone

[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(6-propan-2-yl-3-pyridinyl)methanone (PubChem CID 154799862) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(6-propan-2-yl-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(6-propan-2-yl-3-pyridinyl)methanone
• PubChem CID: 154799862
• Molecular Formula: C19H26N6O
• Molecular Weight: 354.46 g/mol
• Exact Mass: 354.22
• IUPAC Name: [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(6-propan-2-yl-3-pyridinyl)methanone
• SMILES: CC(C)c1ccc(C(=O)N2CCC(N(C)Cc3nccc(N)n3)C2)cn1
• InChI: InChI=1S/C19H26N6O/c1-13(2)16-5-4-14(10-22-16)19(26)25-9-7-15(11-25)24(3)12-18-21-8-6-17(20)23-18/h4-6,8,10,13,15H,7,9,11-12H2,1-3H3,(H2,20,21,23)
• InChIKey: JZURDMHKQJKSJW-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 88.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.46
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(6-propan-2-yl-3-pyridinyl)methanone?

The IUPAC name of [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(6-propan-2-yl-3-pyridinyl)methanone (CID 154799862) is [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(6-propan-2-yl-3-pyridinyl)methanone.

What is the SMILES notation for [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(6-propan-2-yl-3-pyridinyl)methanone?

The canonical SMILES for [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(6-propan-2-yl-3-pyridinyl)methanone is CC(C)c1ccc(C(=O)N2CCC(N(C)Cc3nccc(N)n3)C2)cn1.

What is the InChIKey of [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(6-propan-2-yl-3-pyridinyl)methanone?

The InChIKey is JZURDMHKQJKSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-13(2)16-5-4-14(10-22-16)19(26)25-9-7-15(11-25)24(3)12-18-21-8-6-17(20)23-18/h4-6,8,10,13,15H,7,9,11-12H2,1-3H3,(H2,20,21,23).

What are the key properties of [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(6-propan-2-yl-3-pyridinyl)methanone?

[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(6-propan-2-yl-3-pyridinyl)methanone has a molecular weight of 354.46 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(6-propan-2-yl-3-pyridinyl)methanone is sourced from PubChem (CID 154799862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).