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

C10H15N3O3 — CID 136958357

IUPAC6-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
SMILESO=C(O)CCCCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O3/c14-9-6-8(12-7-13-9)11-5-3-1-2-4-10(15)16/h6-7H,1-5H2,(H,15,16)(H2,11,12,13,14)
InChIKeySOACKPCVLZKVDD-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.83
Rot. Bonds7

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

6-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid (PubChem CID 136958357) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
PubChem CID136958357
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name6-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
SMILESO=C(O)CCCCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O3/c14-9-6-8(12-7-13-9)11-5-3-1-2-4-10(15)16/h6-7H,1-5H2,(H,15,16)(H2,11,12,13,14)
InChIKeySOACKPCVLZKVDD-UHFFFAOYSA-N
XLogP0.83
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid
CID 135468166
6-[(2-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 135474215
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136958329
6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958356
6-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958360
6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958362
4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958377
7-[(6-oxo-1H-pyrimidin-4-yl)amino]heptanoic acid
CID 136958384
2-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958439
2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958471
2-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid
CID 136958581
2-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-2-yl]acetic acid
CID 136958639

Frequently Asked Questions

What is the IUPAC name of 6-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The IUPAC name of 6-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid (CID 136958357) is 6-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid.
What is the SMILES notation for 6-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The canonical SMILES for 6-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid is O=C(O)CCCCCNc1cc(=O)[nH]cn1.
What is the InChIKey of 6-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The InChIKey is SOACKPCVLZKVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c14-9-6-8(12-7-13-9)11-5-3-1-2-4-10(15)16/h6-7H,1-5H2,(H,15,16)(H2,11,12,13,14).
What are the key properties of 6-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
6-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid is sourced from PubChem (CID 136958357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).