5-[(6-propoxypyrimidin-4-yl)amino]hexanoic acid

C13H21N3O3 — CID 82847891

IUPAC5-[(6-propoxypyrimidin-4-yl)amino]hexanoic acid
SMILESCCCOc1cc(NC(C)CCCC(=O)O)ncn1
InChIInChI=1S/C13H21N3O3/c1-3-7-19-12-8-11(14-9-15-12)16-10(2)5-4-6-13(17)18/h8-10H,3-7H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyMEGPGGNHMHHFEB-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.32
Rot. Bonds9

About 5-[(6-propoxypyrimidin-4-yl)amino]hexanoic acid

5-[(6-propoxypyrimidin-4-yl)amino]hexanoic acid (PubChem CID 82847891) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-[(6-propoxypyrimidin-4-yl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(6-propoxypyrimidin-4-yl)amino]hexanoic acid
PubChem CID82847891
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5-[(6-propoxypyrimidin-4-yl)amino]hexanoic acid
SMILESCCCOc1cc(NC(C)CCCC(=O)O)ncn1
InChIInChI=1S/C13H21N3O3/c1-3-7-19-12-8-11(14-9-15-12)16-10(2)5-4-6-13(17)18/h8-10H,3-7H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyMEGPGGNHMHHFEB-UHFFFAOYSA-N
XLogP2.32
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,1-N-dimethyl-3-N-(6-propoxypyrimidin-4-yl)butane-1,3-diamine
CID 66328407
5-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136972346
2-[[(6-propoxypyrimidin-4-yl)amino]methyl]butanoic acid
CID 66331358
6-propoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 66330165
N-butan-2-yl-3-[(6-propoxypyrimidin-4-yl)amino]propanamide
CID 66329761
2-[(6-propoxypyrimidin-4-yl)amino]-2-thiophen-2-ylacetic acid
CID 115284507
N-(5-methylhexyl)-6-propoxypyrimidin-4-amine
CID 115326257
7-[(6-ethoxypyrimidin-4-yl)amino]heptanoic acid
CID 66318771
6-butoxy-N-(1-phenylethyl)pyrimidin-4-amine
CID 82453611
N-[1-(4-methylphenyl)ethyl]-6-propoxypyrimidin-4-amine
CID 66328207
4-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636105
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-propoxypyrimidin-4-amine
CID 106388801

Frequently Asked Questions

What is the IUPAC name of 5-[(6-propoxypyrimidin-4-yl)amino]hexanoic acid?
The IUPAC name of 5-[(6-propoxypyrimidin-4-yl)amino]hexanoic acid (CID 82847891) is 5-[(6-propoxypyrimidin-4-yl)amino]hexanoic acid.
What is the SMILES notation for 5-[(6-propoxypyrimidin-4-yl)amino]hexanoic acid?
The canonical SMILES for 5-[(6-propoxypyrimidin-4-yl)amino]hexanoic acid is CCCOc1cc(NC(C)CCCC(=O)O)ncn1.
What is the InChIKey of 5-[(6-propoxypyrimidin-4-yl)amino]hexanoic acid?
The InChIKey is MEGPGGNHMHHFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-7-19-12-8-11(14-9-15-12)16-10(2)5-4-6-13(17)18/h8-10H,3-7H2,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of 5-[(6-propoxypyrimidin-4-yl)amino]hexanoic acid?
5-[(6-propoxypyrimidin-4-yl)amino]hexanoic acid has a molecular weight of 267.33 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-propoxypyrimidin-4-yl)amino]hexanoic acid is sourced from PubChem (CID 82847891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).