N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)cyclobutanecarboxamide

C16H26N4O4 — CID 8840045

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)cyclobutanecarboxamide
SMILESCOCCN(C(=O)C1CCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N4O4/c1-10(2)9-20-13(17)12(14(21)18-16(20)23)19(7-8-24-3)15(22)11-5-4-6-11/h10-11H,4-9,17H2,1-3H3,(H,18,21,23)
InChIKeyZKABSJGDINADIL-UHFFFAOYSA-N
MW338.41 g/mol
LogP0.55
Rot. Bonds7

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)cyclobutanecarboxamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)cyclobutanecarboxamide (PubChem CID 8840045) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)cyclobutanecarboxamide
PubChem CID8840045
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)cyclobutanecarboxamide
SMILESCOCCN(C(=O)C1CCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N4O4/c1-10(2)9-20-13(17)12(14(21)18-16(20)23)19(7-8-24-3)15(22)11-5-4-6-11/h10-11H,4-9,17H2,1-3H3,(H,18,21,23)
InChIKeyZKABSJGDINADIL-UHFFFAOYSA-N
XLogP0.55
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)cyclobutanecarboxamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)cyclobutanecarboxamide (CID 8840045) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)cyclobutanecarboxamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)cyclobutanecarboxamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)cyclobutanecarboxamide is COCCN(C(=O)C1CCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)cyclobutanecarboxamide?
The InChIKey is ZKABSJGDINADIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-10(2)9-20-13(17)12(14(21)18-16(20)23)19(7-8-24-3)15(22)11-5-4-6-11/h10-11H,4-9,17H2,1-3H3,(H,18,21,23).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)cyclobutanecarboxamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)cyclobutanecarboxamide has a molecular weight of 338.41 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)cyclobutanecarboxamide is sourced from PubChem (CID 8840045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).