4-methyl-2-(4-propan-2-yloxypyrimidin-2-yl)pentanoic acid

C13H20N2O3 — CID 113428025

IUPAC4-methyl-2-(4-propan-2-yloxypyrimidin-2-yl)pentanoic acid
SMILESCC(C)CC(C(=O)O)c1nccc(OC(C)C)n1
InChIInChI=1S/C13H20N2O3/c1-8(2)7-10(13(16)17)12-14-6-5-11(15-12)18-9(3)4/h5-6,8-10H,7H2,1-4H3,(H,16,17)
InChIKeyZQJSPWCVKCAPTN-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.48
Rot. Bonds6

About 4-methyl-2-(4-propan-2-yloxypyrimidin-2-yl)pentanoic acid

4-methyl-2-(4-propan-2-yloxypyrimidin-2-yl)pentanoic acid (PubChem CID 113428025) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-methyl-2-(4-propan-2-yloxypyrimidin-2-yl)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(4-propan-2-yloxypyrimidin-2-yl)pentanoic acid
PubChem CID113428025
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-methyl-2-(4-propan-2-yloxypyrimidin-2-yl)pentanoic acid
SMILESCC(C)CC(C(=O)O)c1nccc(OC(C)C)n1
InChIInChI=1S/C13H20N2O3/c1-8(2)7-10(13(16)17)12-14-6-5-11(15-12)18-9(3)4/h5-6,8-10H,7H2,1-4H3,(H,16,17)
InChIKeyZQJSPWCVKCAPTN-UHFFFAOYSA-N
XLogP2.48
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2-(4-propan-2-yloxypyrimidin-2-yl)propanedioate
CID 104573477
2-(4,6-dimethoxypyrimidin-2-yl)-4-methylpentanoic acid
CID 113428058
2-methyl-3-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112636067
3-methoxy-2-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112636213
2-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112635985
3-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112636247
2-(2-propan-2-yloxy-4-pyridinyl)propanoic acid
CID 83884295
6-[(4-propan-2-yloxypyrimidin-2-yl)amino]hexanoic acid
CID 112635945
methyl 3-[methyl-(4-propan-2-yloxypyrimidin-2-yl)amino]propanoate
CID 112638970
(2S)-2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 122050186
2-(3-methoxy-2-pyridinyl)-4-methylpentanoic acid
CID 86811528
(2S)-2-(3-methoxy-2-pyridinyl)-4-methylpentanoic acid
CID 98041226

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-propan-2-yloxypyrimidin-2-yl)pentanoic acid?
The IUPAC name of 4-methyl-2-(4-propan-2-yloxypyrimidin-2-yl)pentanoic acid (CID 113428025) is 4-methyl-2-(4-propan-2-yloxypyrimidin-2-yl)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(4-propan-2-yloxypyrimidin-2-yl)pentanoic acid?
The canonical SMILES for 4-methyl-2-(4-propan-2-yloxypyrimidin-2-yl)pentanoic acid is CC(C)CC(C(=O)O)c1nccc(OC(C)C)n1.
What is the InChIKey of 4-methyl-2-(4-propan-2-yloxypyrimidin-2-yl)pentanoic acid?
The InChIKey is ZQJSPWCVKCAPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8(2)7-10(13(16)17)12-14-6-5-11(15-12)18-9(3)4/h5-6,8-10H,7H2,1-4H3,(H,16,17).
What are the key properties of 4-methyl-2-(4-propan-2-yloxypyrimidin-2-yl)pentanoic acid?
4-methyl-2-(4-propan-2-yloxypyrimidin-2-yl)pentanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-propan-2-yloxypyrimidin-2-yl)pentanoic acid is sourced from PubChem (CID 113428025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).