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

C13H21N3O3 — CID 112635945

IUPAC6-[(4-propan-2-yloxypyrimidin-2-yl)amino]hexanoic acid
SMILESCC(C)Oc1ccnc(NCCCCCC(=O)O)n1
InChIInChI=1S/C13H21N3O3/c1-10(2)19-11-7-9-15-13(16-11)14-8-5-3-4-6-12(17)18/h7,9-10H,3-6,8H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyKTXREWWQEICGIN-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.32
Rot. Bonds9

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

6-[(4-propan-2-yloxypyrimidin-2-yl)amino]hexanoic acid (PubChem CID 112635945) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-[(4-propan-2-yloxypyrimidin-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(4-propan-2-yloxypyrimidin-2-yl)amino]hexanoic acid
PubChem CID112635945
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name6-[(4-propan-2-yloxypyrimidin-2-yl)amino]hexanoic acid
SMILESCC(C)Oc1ccnc(NCCCCCC(=O)O)n1
InChIInChI=1S/C13H21N3O3/c1-10(2)19-11-7-9-15-13(16-11)14-8-5-3-4-6-12(17)18/h7,9-10H,3-6,8H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyKTXREWWQEICGIN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine
CID 114008164
N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 107323665
N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636998
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112634492
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
2-methyl-3-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112636067
N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636373
3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid
CID 112636210
N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636503
7-[(6-propan-2-yloxypyrimidin-4-yl)amino]heptanoic acid
CID 66333424
N-ethyl-2-[(4-propan-2-yloxypyrimidin-2-yl)amino]acetamide
CID 112636787
5-[(4-cyanopyrimidin-2-yl)amino]pentanoic acid
CID 107542986

Frequently Asked Questions

What is the IUPAC name of 6-[(4-propan-2-yloxypyrimidin-2-yl)amino]hexanoic acid?
The IUPAC name of 6-[(4-propan-2-yloxypyrimidin-2-yl)amino]hexanoic acid (CID 112635945) is 6-[(4-propan-2-yloxypyrimidin-2-yl)amino]hexanoic acid.
What is the SMILES notation for 6-[(4-propan-2-yloxypyrimidin-2-yl)amino]hexanoic acid?
The canonical SMILES for 6-[(4-propan-2-yloxypyrimidin-2-yl)amino]hexanoic acid is CC(C)Oc1ccnc(NCCCCCC(=O)O)n1.
What is the InChIKey of 6-[(4-propan-2-yloxypyrimidin-2-yl)amino]hexanoic acid?
The InChIKey is KTXREWWQEICGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10(2)19-11-7-9-15-13(16-11)14-8-5-3-4-6-12(17)18/h7,9-10H,3-6,8H2,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of 6-[(4-propan-2-yloxypyrimidin-2-yl)amino]hexanoic acid?
6-[(4-propan-2-yloxypyrimidin-2-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 6-[(4-propan-2-yloxypyrimidin-2-yl)amino]hexanoic acid is sourced from PubChem (CID 112635945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).