6-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid

C13H19N3O3 — CID 136958359

IUPAC6-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
SMILESO=C(O)CCCCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H19N3O3/c17-11-8-10(15-13(16-11)9-5-6-9)14-7-3-1-2-4-12(18)19/h8-9H,1-7H2,(H,18,19)(H2,14,15,16,17)
InChIKeyUCBRQQCJOVMVBM-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.70
Rot. Bonds8

About 6-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid

6-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid (PubChem CID 136958359) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
PubChem CID136958359
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name6-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
SMILESO=C(O)CCCCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H19N3O3/c17-11-8-10(15-13(16-11)9-5-6-9)14-7-3-1-2-4-12(18)19/h8-9H,1-7H2,(H,18,19)(H2,14,15,16,17)
InChIKeyUCBRQQCJOVMVBM-UHFFFAOYSA-N
XLogP1.70
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.70
H-Bond Donors ≤ 53
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 6-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The IUPAC name of 6-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid (CID 136958359) is 6-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid.
What is the SMILES notation for 6-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The canonical SMILES for 6-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid is O=C(O)CCCCCNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 6-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The InChIKey is UCBRQQCJOVMVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-11-8-10(15-13(16-11)9-5-6-9)14-7-3-1-2-4-12(18)19/h8-9H,1-7H2,(H,18,19)(H2,14,15,16,17).
What are the key properties of 6-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
6-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.70, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid is sourced from PubChem (CID 136958359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).