2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]hexanoic acid

C16H26N4O3 — CID 122060266

IUPAC2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]hexanoic acid
SMILESCCCCC(Nc1cc(N2CCCC(CO)C2)ncn1)C(=O)O
InChIInChI=1S/C16H26N4O3/c1-2-3-6-13(16(22)23)19-14-8-15(18-11-17-14)20-7-4-5-12(9-20)10-21/h8,11-13,21H,2-7,9-10H2,1H3,(H,22,23)(H,17,18,19)
InChIKeyJXEHDZSRFJCBQR-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.74
Rot. Bonds8

About 2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]hexanoic acid

2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]hexanoic acid (PubChem CID 122060266) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]hexanoic acid.

Molecular Properties

Compound Name2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]hexanoic acid
PubChem CID122060266
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]hexanoic acid
SMILESCCCCC(Nc1cc(N2CCCC(CO)C2)ncn1)C(=O)O
InChIInChI=1S/C16H26N4O3/c1-2-3-6-13(16(22)23)19-14-8-15(18-11-17-14)20-7-4-5-12(9-20)10-21/h8,11-13,21H,2-7,9-10H2,1H3,(H,22,23)(H,17,18,19)
InChIKeyJXEHDZSRFJCBQR-UHFFFAOYSA-N
XLogP1.74
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]hexanoic acid with MolForge

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Related Compounds

2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]hexanoic acid
CID 122060265
2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]propanoic acid
CID 120964085
3-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-phenylbutan-2-ol
CID 133400187
[1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133304977
1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 120963862
(2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid
CID 120964190
[1-[6-[1-(2,3-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133307782
[1-[6-[1-(3-fluoro-4-methylphenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133350349
N-butyl-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 95102904
2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 133324098
2-[[6-[4-(cyclopropylmethoxy)phenyl]pyrimidin-4-yl]amino]hexanoic acid
CID 58629153
2-[(6-propylpyrimidin-4-yl)amino]hexanoic acid
CID 61241478

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]hexanoic acid?
The IUPAC name of 2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]hexanoic acid (CID 122060266) is 2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]hexanoic acid.
What is the SMILES notation for 2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]hexanoic acid?
The canonical SMILES for 2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]hexanoic acid is CCCCC(Nc1cc(N2CCCC(CO)C2)ncn1)C(=O)O.
What is the InChIKey of 2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]hexanoic acid?
The InChIKey is JXEHDZSRFJCBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-2-3-6-13(16(22)23)19-14-8-15(18-11-17-14)20-7-4-5-12(9-20)10-21/h8,11-13,21H,2-7,9-10H2,1H3,(H,22,23)(H,17,18,19).
What are the key properties of 2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]hexanoic acid?
2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]hexanoic acid has a molecular weight of 322.41 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]hexanoic acid is sourced from PubChem (CID 122060266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).