(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium

C19H27N4O5+ — CID 8709469

About (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium

(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium (PubChem CID 8709469) has the molecular formula C19H27N4O5+ and a molecular weight of 391.45 g/mol. Its IUPAC name is (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium.

Molecular Properties

• Compound Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
• PubChem CID: 8709469
• Molecular Formula: C19H27N4O5+
• Molecular Weight: 391.45 g/mol
• Exact Mass: 391.20
• IUPAC Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
• SMILES: CCOC(=O)C1=C(C[NH+](CC)CC(=O)Nc2ccccc2OC)NC(=O)NC1
• InChI: InChI=1S/C19H26N4O5/c1-4-23(12-17(24)21-14-8-6-7-9-16(14)27-3)11-15-13(18(25)28-5-2)10-20-19(26)22-15/h6-9H,4-5,10-12H2,1-3H3,(H,21,24)(H2,20,22,26)/p+1
• InChIKey: KGJSDACPVYKKML-UHFFFAOYSA-O
• XLogP: -0.33
• TPSA: 110.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.45
LogP ≤ 5	-0.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium?

The IUPAC name of (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium (CID 8709469) is (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium.

What is the SMILES notation for (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium?

The canonical SMILES for (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium is CCOC(=O)C1=C(C[NH+](CC)CC(=O)Nc2ccccc2OC)NC(=O)NC1.

What is the InChIKey of (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium?

The InChIKey is KGJSDACPVYKKML-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H26N4O5/c1-4-23(12-17(24)21-14-8-6-7-9-16(14)27-3)11-15-13(18(25)28-5-2)10-20-19(26)22-15/h6-9H,4-5,10-12H2,1-3H3,(H,21,24)(H2,20,22,26)/p+1.

What are the key properties of (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium?

(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium has a molecular weight of 391.45 g/mol, XLogP of -0.33, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 8709469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).