N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylcyclobutanecarboxamide

C16H26N4O3 — CID 7759348

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylcyclobutanecarboxamide
SMILESCCCCN(C(=O)C1CCC1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N4O3/c1-3-5-10-19(15(22)11-7-6-8-11)12-13(17)20(9-4-2)16(23)18-14(12)21/h11H,3-10,17H2,1-2H3,(H,18,21,23)
InChIKeyWFWHLFXANSKRNB-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.46
Rot. Bonds7

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylcyclobutanecarboxamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylcyclobutanecarboxamide (PubChem CID 7759348) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylcyclobutanecarboxamide
PubChem CID7759348
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylcyclobutanecarboxamide
SMILESCCCCN(C(=O)C1CCC1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N4O3/c1-3-5-10-19(15(22)11-7-6-8-11)12-13(17)20(9-4-2)16(23)18-14(12)21/h11H,3-10,17H2,1-2H3,(H,18,21,23)
InChIKeyWFWHLFXANSKRNB-UHFFFAOYSA-N
XLogP1.46
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylcyclobutanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylcyclobutanecarboxamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylcyclobutanecarboxamide (CID 7759348) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylcyclobutanecarboxamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylcyclobutanecarboxamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylcyclobutanecarboxamide is CCCCN(C(=O)C1CCC1)c1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylcyclobutanecarboxamide?
The InChIKey is WFWHLFXANSKRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-3-5-10-19(15(22)11-7-6-8-11)12-13(17)20(9-4-2)16(23)18-14(12)21/h11H,3-10,17H2,1-2H3,(H,18,21,23).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylcyclobutanecarboxamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylcyclobutanecarboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylcyclobutanecarboxamide is sourced from PubChem (CID 7759348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).