N-[4-amino-1-(5-hydroxypentyl)-2,6-dioxo-3-propylpyrimidin-5-yl]acetamide

C14H24N4O4 — CID 45118954

IUPACN-[4-amino-1-(5-hydroxypentyl)-2,6-dioxo-3-propylpyrimidin-5-yl]acetamide
SMILESCCCn1c(N)c(NC(C)=O)c(=O)n(CCCCCO)c1=O
InChIInChI=1S/C14H24N4O4/c1-3-7-17-12(15)11(16-10(2)20)13(21)18(14(17)22)8-5-4-6-9-19/h19H,3-9,15H2,1-2H3,(H,16,20)
InChIKeyUBUFLJGZWLHSEJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP0.12
Rot. Bonds8

About N-[4-amino-1-(5-hydroxypentyl)-2,6-dioxo-3-propylpyrimidin-5-yl]acetamide

N-[4-amino-1-(5-hydroxypentyl)-2,6-dioxo-3-propylpyrimidin-5-yl]acetamide (PubChem CID 45118954) has the molecular formula C14H24N4O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[4-amino-1-(5-hydroxypentyl)-2,6-dioxo-3-propylpyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-amino-1-(5-hydroxypentyl)-2,6-dioxo-3-propylpyrimidin-5-yl]acetamide
PubChem CID45118954
Molecular FormulaC14H24N4O4
Molecular Weight312.37 g/mol
Exact Mass312.18
IUPAC NameN-[4-amino-1-(5-hydroxypentyl)-2,6-dioxo-3-propylpyrimidin-5-yl]acetamide
SMILESCCCn1c(N)c(NC(C)=O)c(=O)n(CCCCCO)c1=O
InChIInChI=1S/C14H24N4O4/c1-3-7-17-12(15)11(16-10(2)20)13(21)18(14(17)22)8-5-4-6-9-19/h19H,3-9,15H2,1-2H3,(H,16,20)
InChIKeyUBUFLJGZWLHSEJ-UHFFFAOYSA-N
XLogP0.12
TPSA119.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.12
H-Bond Donors ≤ 53
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-[4-amino-1-(5-hydroxypentyl)-2,6-dioxo-3-propylpyrimidin-5-yl]acetamide?
The IUPAC name of N-[4-amino-1-(5-hydroxypentyl)-2,6-dioxo-3-propylpyrimidin-5-yl]acetamide (CID 45118954) is N-[4-amino-1-(5-hydroxypentyl)-2,6-dioxo-3-propylpyrimidin-5-yl]acetamide.
What is the SMILES notation for N-[4-amino-1-(5-hydroxypentyl)-2,6-dioxo-3-propylpyrimidin-5-yl]acetamide?
The canonical SMILES for N-[4-amino-1-(5-hydroxypentyl)-2,6-dioxo-3-propylpyrimidin-5-yl]acetamide is CCCn1c(N)c(NC(C)=O)c(=O)n(CCCCCO)c1=O.
What is the InChIKey of N-[4-amino-1-(5-hydroxypentyl)-2,6-dioxo-3-propylpyrimidin-5-yl]acetamide?
The InChIKey is UBUFLJGZWLHSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4/c1-3-7-17-12(15)11(16-10(2)20)13(21)18(14(17)22)8-5-4-6-9-19/h19H,3-9,15H2,1-2H3,(H,16,20).
What are the key properties of N-[4-amino-1-(5-hydroxypentyl)-2,6-dioxo-3-propylpyrimidin-5-yl]acetamide?
N-[4-amino-1-(5-hydroxypentyl)-2,6-dioxo-3-propylpyrimidin-5-yl]acetamide has a molecular weight of 312.37 g/mol, XLogP of 0.12, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-(5-hydroxypentyl)-2,6-dioxo-3-propylpyrimidin-5-yl]acetamide is sourced from PubChem (CID 45118954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).