2-[(6-propylpyrimidin-4-yl)amino]hexanoic acid

C13H21N3O2 — CID 61241478

IUPAC2-[(6-propylpyrimidin-4-yl)amino]hexanoic acid
SMILESCCCCC(Nc1cc(CCC)ncn1)C(=O)O
InChIInChI=1S/C13H21N3O2/c1-3-5-7-11(13(17)18)16-12-8-10(6-4-2)14-9-15-12/h8-9,11H,3-7H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyWYOJRSKRASDYSE-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.48
Rot. Bonds8

About 2-[(6-propylpyrimidin-4-yl)amino]hexanoic acid

2-[(6-propylpyrimidin-4-yl)amino]hexanoic acid (PubChem CID 61241478) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(6-propylpyrimidin-4-yl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(6-propylpyrimidin-4-yl)amino]hexanoic acid
PubChem CID61241478
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[(6-propylpyrimidin-4-yl)amino]hexanoic acid
SMILESCCCCC(Nc1cc(CCC)ncn1)C(=O)O
InChIInChI=1S/C13H21N3O2/c1-3-5-7-11(13(17)18)16-12-8-10(6-4-2)14-9-15-12/h8-9,11H,3-7H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyWYOJRSKRASDYSE-UHFFFAOYSA-N
XLogP2.48
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-octan-4-yl-6-propylpyrimidin-4-amine
CID 106026552
2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]hexanoic acid
CID 122060265
2-phenyl-2-[(6-propylpyrimidin-4-yl)amino]ethanol
CID 55157881
ethyl (2R)-2-[(6-chloropyrimidin-4-yl)amino]hexanoate
CID 58629287
N-(5-methylhexan-2-yl)-6-propylpyrimidin-4-amine
CID 63926924
2-[[6-[4-(cyclopropylmethoxy)phenyl]pyrimidin-4-yl]amino]hexanoic acid
CID 58629153
2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]hexanoic acid
CID 122060266
methyl 2-[(6-propylpyrimidin-4-yl)amino]acetate
CID 61240139
2-[(5-iodo-2-pyridinyl)amino]hexanoic acid
CID 122060460
(2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid
CID 122062830
2-[(4-methyl-5-nitro-2-pyridinyl)amino]hexanoic acid
CID 79173918
2-[[6-(4-phenylmethoxyphenyl)pyrimidin-4-yl]amino]heptanoic acid
CID 142893994

Frequently Asked Questions

What is the IUPAC name of 2-[(6-propylpyrimidin-4-yl)amino]hexanoic acid?
The IUPAC name of 2-[(6-propylpyrimidin-4-yl)amino]hexanoic acid (CID 61241478) is 2-[(6-propylpyrimidin-4-yl)amino]hexanoic acid.
What is the SMILES notation for 2-[(6-propylpyrimidin-4-yl)amino]hexanoic acid?
The canonical SMILES for 2-[(6-propylpyrimidin-4-yl)amino]hexanoic acid is CCCCC(Nc1cc(CCC)ncn1)C(=O)O.
What is the InChIKey of 2-[(6-propylpyrimidin-4-yl)amino]hexanoic acid?
The InChIKey is WYOJRSKRASDYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-5-7-11(13(17)18)16-12-8-10(6-4-2)14-9-15-12/h8-9,11H,3-7H2,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-[(6-propylpyrimidin-4-yl)amino]hexanoic acid?
2-[(6-propylpyrimidin-4-yl)amino]hexanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-propylpyrimidin-4-yl)amino]hexanoic acid is sourced from PubChem (CID 61241478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).