N-(5-amino-3-butyl-2,6-dioxopyrimidin-4-yl)acetamide

C10H16N4O3 — CID 13306558

IUPACN-(5-amino-3-butyl-2,6-dioxopyrimidin-4-yl)acetamide
SMILESCCCCn1c(NC(C)=O)c(N)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N4O3/c1-3-4-5-14-8(12-6(2)15)7(11)9(16)13-10(14)17/h3-5,11H2,1-2H3,(H,12,15)(H,13,16,17)
InChIKeyHVTPBYDBQBICBS-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.12
Rot. Bonds4

About N-(5-amino-3-butyl-2,6-dioxopyrimidin-4-yl)acetamide

N-(5-amino-3-butyl-2,6-dioxopyrimidin-4-yl)acetamide (PubChem CID 13306558) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-(5-amino-3-butyl-2,6-dioxopyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-3-butyl-2,6-dioxopyrimidin-4-yl)acetamide
PubChem CID13306558
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC NameN-(5-amino-3-butyl-2,6-dioxopyrimidin-4-yl)acetamide
SMILESCCCCn1c(NC(C)=O)c(N)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N4O3/c1-3-4-5-14-8(12-6(2)15)7(11)9(16)13-10(14)17/h3-5,11H2,1-2H3,(H,12,15)(H,13,16,17)
InChIKeyHVTPBYDBQBICBS-UHFFFAOYSA-N
XLogP-0.12
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-butyl-2,6-dioxopyrimidin-4-yl)acetamide?
The IUPAC name of N-(5-amino-3-butyl-2,6-dioxopyrimidin-4-yl)acetamide (CID 13306558) is N-(5-amino-3-butyl-2,6-dioxopyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(5-amino-3-butyl-2,6-dioxopyrimidin-4-yl)acetamide?
The canonical SMILES for N-(5-amino-3-butyl-2,6-dioxopyrimidin-4-yl)acetamide is CCCCn1c(NC(C)=O)c(N)c(=O)[nH]c1=O.
What is the InChIKey of N-(5-amino-3-butyl-2,6-dioxopyrimidin-4-yl)acetamide?
The InChIKey is HVTPBYDBQBICBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-3-4-5-14-8(12-6(2)15)7(11)9(16)13-10(14)17/h3-5,11H2,1-2H3,(H,12,15)(H,13,16,17).
What are the key properties of N-(5-amino-3-butyl-2,6-dioxopyrimidin-4-yl)acetamide?
N-(5-amino-3-butyl-2,6-dioxopyrimidin-4-yl)acetamide has a molecular weight of 240.26 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-butyl-2,6-dioxopyrimidin-4-yl)acetamide is sourced from PubChem (CID 13306558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).