N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide

C19H28N4O5 — CID 9441725

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide
SMILESCOCCCN(C(=O)c1cc(C)oc1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H28N4O5/c1-11(2)10-23-16(20)15(17(24)21-19(23)26)22(7-6-8-27-5)18(25)14-9-12(3)28-13(14)4/h9,11H,6-8,10,20H2,1-5H3,(H,21,24,26)
InChIKeyLPXPUTCXRMUOLB-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.67
Rot. Bonds8

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 9441725) has the molecular formula C19H28N4O5 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID9441725
Molecular FormulaC19H28N4O5
Molecular Weight392.46 g/mol
Exact Mass392.21
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide
SMILESCOCCCN(C(=O)c1cc(C)oc1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H28N4O5/c1-11(2)10-23-16(20)15(17(24)21-19(23)26)22(7-6-8-27-5)18(25)14-9-12(3)28-13(14)4/h9,11H,6-8,10,20H2,1-5H3,(H,21,24,26)
InChIKeyLPXPUTCXRMUOLB-UHFFFAOYSA-N
XLogP1.67
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide (CID 9441725) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide is COCCCN(C(=O)c1cc(C)oc1C)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-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is LPXPUTCXRMUOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O5/c1-11(2)10-23-16(20)15(17(24)21-19(23)26)22(7-6-8-27-5)18(25)14-9-12(3)28-13(14)4/h9,11H,6-8,10,20H2,1-5H3,(H,21,24,26).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 9441725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).