N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide

C19H28N6O5 — CID 39911260

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide (PubChem CID 39911260) has the molecular formula C19H28N6O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide.

Molecular Properties

• Compound Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide
• PubChem CID: 39911260
• Molecular Formula: C19H28N6O5
• Molecular Weight: 420.47 g/mol
• Exact Mass: 420.21
• IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide
• SMILES: CCCCn1c(N)c(N(CC)C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c(=O)[nH]c1=O
• InChI: InChI=1S/C19H28N6O5/c1-4-6-9-24-14(20)13(15(27)21-17(24)29)23(5-2)12(26)10-25-16(28)19(3,11-7-8-11)22-18(25)30/h11H,4-10,20H2,1-3H3,(H,22,30)(H,21,27,29)/t19-/m0/s1
• InChIKey: PQHHKTRRLAEYOR-IBGZPJMESA-N
• XLogP: -0.01
• TPSA: 150.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.47
LogP ≤ 5	-0.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide?

The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide (CID 39911260) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide.

What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide?

The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide is CCCCn1c(N)c(N(CC)C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c(=O)[nH]c1=O.

What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide?

The InChIKey is PQHHKTRRLAEYOR-IBGZPJMESA-N. The full InChI is InChI=1S/C19H28N6O5/c1-4-6-9-24-14(20)13(15(27)21-17(24)29)23(5-2)12(26)10-25-16(28)19(3,11-7-8-11)22-18(25)30/h11H,4-10,20H2,1-3H3,(H,22,30)(H,21,27,29)/t19-/m0/s1.

What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide?

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide has a molecular weight of 420.47 g/mol, XLogP of -0.01, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 39911260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).