1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone

C19H26N6O — CID 125002734

About 1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone

1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone (PubChem CID 125002734) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone.

Molecular Properties

• Compound Name: 1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
• PubChem CID: 125002734
• Molecular Formula: C19H26N6O
• Molecular Weight: 354.46 g/mol
• Exact Mass: 354.22
• IUPAC Name: 1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
• SMILES: CNc1cc([C@H]2CCCN2C(=O)CN(C)Cc2cccnc2)nc(C)n1
• InChI: InChI=1S/C19H26N6O/c1-14-22-16(10-18(20-2)23-14)17-7-5-9-25(17)19(26)13-24(3)12-15-6-4-8-21-11-15/h4,6,8,10-11,17H,5,7,9,12-13H2,1-3H3,(H,20,22,23)/t17-/m1/s1
• InChIKey: SMLRNMVQEZMFOE-QGZVFWFLSA-N
• XLogP: 2.02
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.46
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?

The IUPAC name of 1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone (CID 125002734) is 1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone.

What is the SMILES notation for 1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?

The canonical SMILES for 1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone is CNc1cc([C@H]2CCCN2C(=O)CN(C)Cc2cccnc2)nc(C)n1.

What is the InChIKey of 1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?

The InChIKey is SMLRNMVQEZMFOE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N6O/c1-14-22-16(10-18(20-2)23-14)17-7-5-9-25(17)19(26)13-24(3)12-15-6-4-8-21-11-15/h4,6,8,10-11,17H,5,7,9,12-13H2,1-3H3,(H,20,22,23)/t17-/m1/s1.

What are the key properties of 1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?

1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone has a molecular weight of 354.46 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone is sourced from PubChem (CID 125002734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).