2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]hexanoic acid

C14H22N4O2 — CID 122060265

IUPAC2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]hexanoic acid
SMILESCCCCC(Nc1cc(N2CCCC2)ncn1)C(=O)O
InChIInChI=1S/C14H22N4O2/c1-2-3-6-11(14(19)20)17-12-9-13(16-10-15-12)18-7-4-5-8-18/h9-11H,2-8H2,1H3,(H,19,20)(H,15,16,17)
InChIKeyCNSVIESHZIOATO-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.13
Rot. Bonds7

About 2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]hexanoic acid

2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]hexanoic acid (PubChem CID 122060265) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]hexanoic acid
PubChem CID122060265
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]hexanoic acid
SMILESCCCCC(Nc1cc(N2CCCC2)ncn1)C(=O)O
InChIInChI=1S/C14H22N4O2/c1-2-3-6-11(14(19)20)17-12-9-13(16-10-15-12)18-7-4-5-8-18/h9-11H,2-8H2,1H3,(H,19,20)(H,15,16,17)
InChIKeyCNSVIESHZIOATO-UHFFFAOYSA-N
XLogP2.13
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]hexanoic acid
CID 122060266
(2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid
CID 120964190
2-[(6-propylpyrimidin-4-yl)amino]hexanoic acid
CID 61241478
2-[[6-[4-(cyclopropylmethoxy)phenyl]pyrimidin-4-yl]amino]hexanoic acid
CID 58629153
(2S)-4-methyl-2-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]pentanoic acid
CID 122050080
1-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112855082
(2S)-3-phenyl-2-[(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]propanoic acid
CID 120964320
ethyl 4-[6-(butylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112855122
N-hydroxy-N-[2-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide
CID 87264343
(2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid
CID 122062830
ethyl (2R)-2-[(6-chloropyrimidin-4-yl)amino]hexanoate
CID 58629287
N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine
CID 112856019

Frequently Asked Questions

What is the IUPAC name of 2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]hexanoic acid?
The IUPAC name of 2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]hexanoic acid (CID 122060265) is 2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]hexanoic acid.
What is the SMILES notation for 2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]hexanoic acid?
The canonical SMILES for 2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]hexanoic acid is CCCCC(Nc1cc(N2CCCC2)ncn1)C(=O)O.
What is the InChIKey of 2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]hexanoic acid?
The InChIKey is CNSVIESHZIOATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-3-6-11(14(19)20)17-12-9-13(16-10-15-12)18-7-4-5-8-18/h9-11H,2-8H2,1H3,(H,19,20)(H,15,16,17).
What are the key properties of 2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]hexanoic acid?
2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]hexanoic acid has a molecular weight of 278.36 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]hexanoic acid is sourced from PubChem (CID 122060265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).