2-methoxyethyl N-methyl-5-(methylideneamino)-1-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,6-dihydro-2H-pyridine-4-carboximidate

C23H30N6O4 — CID 166763383

About 2-methoxyethyl N-methyl-5-(methylideneamino)-1-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,6-dihydro-2H-pyridine-4-carboximidate

2-methoxyethyl N-methyl-5-(methylideneamino)-1-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,6-dihydro-2H-pyridine-4-carboximidate (PubChem CID 166763383) has the molecular formula C23H30N6O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-methoxyethyl N-methyl-5-(methylideneamino)-1-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,6-dihydro-2H-pyridine-4-carboximidate.

Molecular Properties

• Compound Name: 2-methoxyethyl N-methyl-5-(methylideneamino)-1-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,6-dihydro-2H-pyridine-4-carboximidate
• PubChem CID: 166763383
• Molecular Formula: C23H30N6O4
• Molecular Weight: 454.53 g/mol
• Exact Mass: 454.23
• IUPAC Name: 2-methoxyethyl N-methyl-5-(methylideneamino)-1-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,6-dihydro-2H-pyridine-4-carboximidate
• SMILES: C=NC1=C(/C(=N/C)OCCOC)CCN(C(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)C1
• InChI: InChI=1S/C23H30N6O4/c1-14-17(18-19(28-23(2)7-8-23)26-13-27-21(18)33-14)22(30)29-9-6-15(16(12-29)24-3)20(25-4)32-11-10-31-5/h13H,3,6-12H2,1-2,4-5H3,(H,26,27,28)/b25-20-
• InChIKey: SDMVAHQGRULPTC-QQTULTPQSA-N
• XLogP: 2.99
• TPSA: 114.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.53
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-methyl-5-(methylideneamino)-1-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,6-dihydro-2H-pyridine-4-carboximidate?

The IUPAC name of 2-methoxyethyl N-methyl-5-(methylideneamino)-1-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,6-dihydro-2H-pyridine-4-carboximidate (CID 166763383) is 2-methoxyethyl N-methyl-5-(methylideneamino)-1-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,6-dihydro-2H-pyridine-4-carboximidate.

What is the SMILES notation for 2-methoxyethyl N-methyl-5-(methylideneamino)-1-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,6-dihydro-2H-pyridine-4-carboximidate?

The canonical SMILES for 2-methoxyethyl N-methyl-5-(methylideneamino)-1-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,6-dihydro-2H-pyridine-4-carboximidate is C=NC1=C(/C(=N/C)OCCOC)CCN(C(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)C1.

What is the InChIKey of 2-methoxyethyl N-methyl-5-(methylideneamino)-1-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,6-dihydro-2H-pyridine-4-carboximidate?

The InChIKey is SDMVAHQGRULPTC-QQTULTPQSA-N. The full InChI is InChI=1S/C23H30N6O4/c1-14-17(18-19(28-23(2)7-8-23)26-13-27-21(18)33-14)22(30)29-9-6-15(16(12-29)24-3)20(25-4)32-11-10-31-5/h13H,3,6-12H2,1-2,4-5H3,(H,26,27,28)/b25-20-.

What are the key properties of 2-methoxyethyl N-methyl-5-(methylideneamino)-1-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,6-dihydro-2H-pyridine-4-carboximidate?

2-methoxyethyl N-methyl-5-(methylideneamino)-1-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,6-dihydro-2H-pyridine-4-carboximidate has a molecular weight of 454.53 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxyethyl N-methyl-5-(methylideneamino)-1-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,6-dihydro-2H-pyridine-4-carboximidate is sourced from PubChem (CID 166763383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).