5-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid

C10H15N3O3 — CID 136972346

IUPAC5-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O3/c1-7(3-2-4-10(15)16)13-8-5-9(14)12-6-11-8/h5-7H,2-4H2,1H3,(H,15,16)(H2,11,12,13,14)
InChIKeyYMANTLWBHRHLHH-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.83
Rot. Bonds6

About 5-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid

5-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid (PubChem CID 136972346) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
PubChem CID136972346
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name5-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O3/c1-7(3-2-4-10(15)16)13-8-5-9(14)12-6-11-8/h5-7H,2-4H2,1H3,(H,15,16)(H2,11,12,13,14)
InChIKeyYMANTLWBHRHLHH-UHFFFAOYSA-N
XLogP0.83
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136972348
4-(pent-4-en-2-ylamino)-1H-pyrimidin-6-one
CID 136977021
4-(1-ethoxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136956387
2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanedioic acid
CID 136959396
ethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956412
5-methyl-4-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]hexanoic acid
CID 137015828
5-[(6-propoxypyrimidin-4-yl)amino]hexanoic acid
CID 82847891
2-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136959337
3-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136959349
4-(1-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136956697
4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
CID 136956404
5-(1,2,4-thiadiazol-5-ylamino)hexanoic acid
CID 82846013

Frequently Asked Questions

What is the IUPAC name of 5-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The IUPAC name of 5-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid (CID 136972346) is 5-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid.
What is the SMILES notation for 5-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The canonical SMILES for 5-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid is CC(CCCC(=O)O)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 5-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The InChIKey is YMANTLWBHRHLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(3-2-4-10(15)16)13-8-5-9(14)12-6-11-8/h5-7H,2-4H2,1H3,(H,15,16)(H2,11,12,13,14).
What are the key properties of 5-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
5-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid is sourced from PubChem (CID 136972346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).