cyclopentyl-[(3R)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone

C21H28N6O — CID 95842373

About cyclopentyl-[(3R)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone

cyclopentyl-[(3R)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 95842373) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is cyclopentyl-[(3R)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclopentyl-[(3R)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
• PubChem CID: 95842373
• Molecular Formula: C21H28N6O
• Molecular Weight: 380.50 g/mol
• Exact Mass: 380.23
• IUPAC Name: cyclopentyl-[(3R)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
• SMILES: Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCN(C(=O)C4CCCC4)C3)n2)n1
• InChI: InChI=1S/C21H28N6O/c1-13-10-14(2)24-21(23-13)26-18-11-15(3)22-19(25-18)17-8-9-27(12-17)20(28)16-6-4-5-7-16/h10-11,16-17H,4-9,12H2,1-3H3,(H,22,23,24,25,26)/t17-/m1/s1
• InChIKey: NRAOVAHCRSQEFB-QGZVFWFLSA-N
• XLogP: 3.44
• TPSA: 83.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.50
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(3R)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone?

The IUPAC name of cyclopentyl-[(3R)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone (CID 95842373) is cyclopentyl-[(3R)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for cyclopentyl-[(3R)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone?

The canonical SMILES for cyclopentyl-[(3R)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone is Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCN(C(=O)C4CCCC4)C3)n2)n1.

What is the InChIKey of cyclopentyl-[(3R)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone?

The InChIKey is NRAOVAHCRSQEFB-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N6O/c1-13-10-14(2)24-21(23-13)26-18-11-15(3)22-19(25-18)17-8-9-27(12-17)20(28)16-6-4-5-7-16/h10-11,16-17H,4-9,12H2,1-3H3,(H,22,23,24,25,26)/t17-/m1/s1.

What are the key properties of cyclopentyl-[(3R)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone?

cyclopentyl-[(3R)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 380.50 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl-[(3R)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95842373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).