6-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid

C12H17N3O5 — CID 119220163

IUPAC6-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid
SMILESCn1c(=O)[nH]cc(C(=O)NCCCCCC(=O)O)c1=O
InChIInChI=1S/C12H17N3O5/c1-15-11(19)8(7-14-12(15)20)10(18)13-6-4-2-3-5-9(16)17/h7H,2-6H2,1H3,(H,13,18)(H,14,20)(H,16,17)
InChIKeyXLQIWJPAZUNUNU-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.55
Rot. Bonds7

About 6-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid

6-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid (PubChem CID 119220163) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 6-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid
PubChem CID119220163
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name6-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid
SMILESCn1c(=O)[nH]cc(C(=O)NCCCCCC(=O)O)c1=O
InChIInChI=1S/C12H17N3O5/c1-15-11(19)8(7-14-12(15)20)10(18)13-6-4-2-3-5-9(16)17/h7H,2-6H2,1H3,(H,13,18)(H,14,20)(H,16,17)
InChIKeyXLQIWJPAZUNUNU-UHFFFAOYSA-N
XLogP-0.55
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid (CID 119220163) is 6-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid is Cn1c(=O)[nH]cc(C(=O)NCCCCCC(=O)O)c1=O.
What is the InChIKey of 6-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid?
The InChIKey is XLQIWJPAZUNUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-15-11(19)8(7-14-12(15)20)10(18)13-6-4-2-3-5-9(16)17/h7H,2-6H2,1H3,(H,13,18)(H,14,20)(H,16,17).
What are the key properties of 6-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid?
6-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid has a molecular weight of 283.28 g/mol, XLogP of -0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 119220163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).