6-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]hexanoic acid

C13H19N3O5 — CID 84555547

IUPAC6-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]hexanoic acid
SMILESCn1cc(C(=O)NCCCCCC(=O)O)c(=O)n(C)c1=O
InChIInChI=1S/C13H19N3O5/c1-15-8-9(12(20)16(2)13(15)21)11(19)14-7-5-3-4-6-10(17)18/h8H,3-7H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyPMKBMZKXLQOBQU-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.54
Rot. Bonds7

About 6-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]hexanoic acid

6-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]hexanoic acid (PubChem CID 84555547) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 6-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]hexanoic acid
PubChem CID84555547
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name6-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]hexanoic acid
SMILESCn1cc(C(=O)NCCCCCC(=O)O)c(=O)n(C)c1=O
InChIInChI=1S/C13H19N3O5/c1-15-8-9(12(20)16(2)13(15)21)11(19)14-7-5-3-4-6-10(17)18/h8H,3-7H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyPMKBMZKXLQOBQU-UHFFFAOYSA-N
XLogP-0.54
TPSA110.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 6-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]hexanoic acid (CID 84555547) is 6-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]hexanoic acid is Cn1cc(C(=O)NCCCCCC(=O)O)c(=O)n(C)c1=O.
What is the InChIKey of 6-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]hexanoic acid?
The InChIKey is PMKBMZKXLQOBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-15-8-9(12(20)16(2)13(15)21)11(19)14-7-5-3-4-6-10(17)18/h8H,3-7H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 6-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]hexanoic acid?
6-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]hexanoic acid has a molecular weight of 297.31 g/mol, XLogP of -0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 84555547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).