N-hexyl-N-methyl-2,4-dioxopyrimidine-1-carboxamide

C12H19N3O3 — CID 71655121

IUPACN-hexyl-N-methyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCN(C)C(=O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-3-4-5-6-8-14(2)12(18)15-9-7-10(16)13-11(15)17/h7,9H,3-6,8H2,1-2H3,(H,13,16,17)
InChIKeyBNEIYSMXRMKATJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.02
Rot. Bonds5

About N-hexyl-N-methyl-2,4-dioxopyrimidine-1-carboxamide

N-hexyl-N-methyl-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 71655121) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-hexyl-N-methyl-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-hexyl-N-methyl-2,4-dioxopyrimidine-1-carboxamide
PubChem CID71655121
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-hexyl-N-methyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCN(C)C(=O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-3-4-5-6-8-14(2)12(18)15-9-7-10(16)13-11(15)17/h7,9H,3-6,8H2,1-2H3,(H,13,16,17)
InChIKeyBNEIYSMXRMKATJ-UHFFFAOYSA-N
XLogP1.02
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
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 N-hexyl-N-methyl-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-hexyl-N-methyl-2,4-dioxopyrimidine-1-carboxamide (CID 71655121) is N-hexyl-N-methyl-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-hexyl-N-methyl-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-hexyl-N-methyl-2,4-dioxopyrimidine-1-carboxamide is CCCCCCN(C)C(=O)n1ccc(=O)[nH]c1=O.
What is the InChIKey of N-hexyl-N-methyl-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is BNEIYSMXRMKATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-4-5-6-8-14(2)12(18)15-9-7-10(16)13-11(15)17/h7,9H,3-6,8H2,1-2H3,(H,13,16,17).
What are the key properties of N-hexyl-N-methyl-2,4-dioxopyrimidine-1-carboxamide?
N-hexyl-N-methyl-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-methyl-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 71655121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).