azane;N-hexyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

C11H20N4O3 — CID 22066191

IUPACazane;N-hexyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCCCCCCNC(=O)c1c[nH]c(=O)[nH]c1=O.N
InChIInChI=1S/C11H17N3O3.H3N/c1-2-3-4-5-6-12-9(15)8-7-13-11(17)14-10(8)16;/h7H,2-6H2,1H3,(H,12,15)(H2,13,14,16,17);1H3
InChIKeyHLAOPGAJAIBRBB-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.54
Rot. Bonds6

About azane;N-hexyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

azane;N-hexyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 22066191) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is azane;N-hexyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Nameazane;N-hexyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID22066191
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Nameazane;N-hexyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCCCCCCNC(=O)c1c[nH]c(=O)[nH]c1=O.N
InChIInChI=1S/C11H17N3O3.H3N/c1-2-3-4-5-6-12-9(15)8-7-13-11(17)14-10(8)16;/h7H,2-6H2,1H3,(H,12,15)(H2,13,14,16,17);1H3
InChIKeyHLAOPGAJAIBRBB-UHFFFAOYSA-N
XLogP0.54
TPSA129.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 azane;N-hexyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of azane;N-hexyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 22066191) is azane;N-hexyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for azane;N-hexyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for azane;N-hexyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is CCCCCCNC(=O)c1c[nH]c(=O)[nH]c1=O.N.
What is the InChIKey of azane;N-hexyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is HLAOPGAJAIBRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3.H3N/c1-2-3-4-5-6-12-9(15)8-7-13-11(17)14-10(8)16;/h7H,2-6H2,1H3,(H,12,15)(H2,13,14,16,17);1H3.
What are the key properties of azane;N-hexyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
azane;N-hexyl-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 0.54, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-hexyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 22066191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).