5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid

C13H21N3O3 — CID 112634492

IUPAC5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
SMILESCc1cc(OC(C)C)nc(NCCCCC(=O)O)n1
InChIInChI=1S/C13H21N3O3/c1-9(2)19-11-8-10(3)15-13(16-11)14-7-5-4-6-12(17)18/h8-9H,4-7H2,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyGZKGVWBNPYOVDX-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.24
Rot. Bonds8

About 5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid

5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid (PubChem CID 112634492) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
PubChem CID112634492
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
SMILESCc1cc(OC(C)C)nc(NCCCCC(=O)O)n1
InChIInChI=1S/C13H21N3O3/c1-9(2)19-11-8-10(3)15-13(16-11)14-7-5-4-6-12(17)18/h8-9H,4-7H2,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyGZKGVWBNPYOVDX-UHFFFAOYSA-N
XLogP2.24
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.24
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

4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide
CID 112636850
7-[(4-methoxy-6-methylpyrimidin-2-yl)amino]heptanoic acid
CID 112634346
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 107318107
4-methyl-4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 115973001
6-[(4-propan-2-yloxypyrimidin-2-yl)amino]hexanoic acid
CID 112635945
N-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide
CID 115975222
2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]ethyl carbamate
CID 112638489
2-methyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112634458
2-[[2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetyl]amino]acetic acid
CID 115972915
4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]butanoic acid
CID 112634344
N'-methyl-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106048616
4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637747

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid?
The IUPAC name of 5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid (CID 112634492) is 5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid.
What is the SMILES notation for 5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid?
The canonical SMILES for 5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid is Cc1cc(OC(C)C)nc(NCCCCC(=O)O)n1.
What is the InChIKey of 5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid?
The InChIKey is GZKGVWBNPYOVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)19-11-8-10(3)15-13(16-11)14-7-5-4-6-12(17)18/h8-9H,4-7H2,1-3H3,(H,17,18)(H,14,15,16).
What are the key properties of 5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid?
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid has a molecular weight of 267.33 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid is sourced from PubChem (CID 112634492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).