[3-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-2,5-dioxoimidazolidin-1-yl]methyl dihydrogen phosphate;2-cyclopropyl-4-methylpyrimidine

C28H31N10O7P — CID 165132279

About [3-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-2,5-dioxoimidazolidin-1-yl]methyl dihydrogen phosphate;2-cyclopropyl-4-methylpyrimidine

[3-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-2,5-dioxoimidazolidin-1-yl]methyl dihydrogen phosphate;2-cyclopropyl-4-methylpyrimidine (PubChem CID 165132279) has the molecular formula C28H31N10O7P and a molecular weight of 650.59 g/mol. Its IUPAC name is [3-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-2,5-dioxoimidazolidin-1-yl]methyl dihydrogen phosphate;2-cyclopropyl-4-methylpyrimidine.

Molecular Properties

• Compound Name: [3-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-2,5-dioxoimidazolidin-1-yl]methyl dihydrogen phosphate;2-cyclopropyl-4-methylpyrimidine
• PubChem CID: 165132279
• Molecular Formula: C28H31N10O7P
• Molecular Weight: 650.59 g/mol
• Exact Mass: 650.21
• IUPAC Name: [3-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-2,5-dioxoimidazolidin-1-yl]methyl dihydrogen phosphate;2-cyclopropyl-4-methylpyrimidine
• SMILES: Cc1ccnc(C2CC2)n1.O=CNc1cc(NCc2cn3cc(C4CC4)cc(N4CC(=O)N(COP(=O)(O)O)C4=O)c3n2)ncn1
• InChI: InChI=1S/C20H21N8O7P.C8H10N2/c29-10-24-17-4-16(22-9-23-17)21-5-14-7-26-6-13(12-1-2-12)3-15(19(26)25-14)27-8-18(30)28(20(27)31)11-35-36(32,33)34;1-6-4-5-9-8(10-6)7-2-3-7/h3-4,6-7,9-10,12H,1-2,5,8,11H2,(H2,32,33,34)(H2,21,22,23,24,29);4-5,7H,2-3H2,1H3
• InChIKey: NLJIGZZDCQCAKG-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 217.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.59
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-2,5-dioxoimidazolidin-1-yl]methyl dihydrogen phosphate;2-cyclopropyl-4-methylpyrimidine?

The IUPAC name of [3-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-2,5-dioxoimidazolidin-1-yl]methyl dihydrogen phosphate;2-cyclopropyl-4-methylpyrimidine (CID 165132279) is [3-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-2,5-dioxoimidazolidin-1-yl]methyl dihydrogen phosphate;2-cyclopropyl-4-methylpyrimidine.

What is the SMILES notation for [3-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-2,5-dioxoimidazolidin-1-yl]methyl dihydrogen phosphate;2-cyclopropyl-4-methylpyrimidine?

The canonical SMILES for [3-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-2,5-dioxoimidazolidin-1-yl]methyl dihydrogen phosphate;2-cyclopropyl-4-methylpyrimidine is Cc1ccnc(C2CC2)n1.O=CNc1cc(NCc2cn3cc(C4CC4)cc(N4CC(=O)N(COP(=O)(O)O)C4=O)c3n2)ncn1.

What is the InChIKey of [3-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-2,5-dioxoimidazolidin-1-yl]methyl dihydrogen phosphate;2-cyclopropyl-4-methylpyrimidine?

The InChIKey is NLJIGZZDCQCAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N8O7P.C8H10N2/c29-10-24-17-4-16(22-9-23-17)21-5-14-7-26-6-13(12-1-2-12)3-15(19(26)25-14)27-8-18(30)28(20(27)31)11-35-36(32,33)34;1-6-4-5-9-8(10-6)7-2-3-7/h3-4,6-7,9-10,12H,1-2,5,8,11H2,(H2,32,33,34)(H2,21,22,23,24,29);4-5,7H,2-3H2,1H3.

What are the key properties of [3-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-2,5-dioxoimidazolidin-1-yl]methyl dihydrogen phosphate;2-cyclopropyl-4-methylpyrimidine?

[3-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-2,5-dioxoimidazolidin-1-yl]methyl dihydrogen phosphate;2-cyclopropyl-4-methylpyrimidine has a molecular weight of 650.59 g/mol, XLogP of 2.68, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-2,5-dioxoimidazolidin-1-yl]methyl dihydrogen phosphate;2-cyclopropyl-4-methylpyrimidine is sourced from PubChem (CID 165132279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).