2-(4-methoxy-6-methylpyrimidin-2-yl)pentanoic acid

C11H16N2O3 — CID 104571914

IUPAC2-(4-methoxy-6-methylpyrimidin-2-yl)pentanoic acid
SMILESCCCC(C(=O)O)c1nc(C)cc(OC)n1
InChIInChI=1S/C11H16N2O3/c1-4-5-8(11(14)15)10-12-7(2)6-9(13-10)16-3/h6,8H,4-5H2,1-3H3,(H,14,15)
InChIKeySFUIGDTXYXZMKU-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.76
Rot. Bonds5

About 2-(4-methoxy-6-methylpyrimidin-2-yl)pentanoic acid

2-(4-methoxy-6-methylpyrimidin-2-yl)pentanoic acid (PubChem CID 104571914) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(4-methoxy-6-methylpyrimidin-2-yl)pentanoic acid.

Molecular Properties

Compound Name2-(4-methoxy-6-methylpyrimidin-2-yl)pentanoic acid
PubChem CID104571914
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(4-methoxy-6-methylpyrimidin-2-yl)pentanoic acid
SMILESCCCC(C(=O)O)c1nc(C)cc(OC)n1
InChIInChI=1S/C11H16N2O3/c1-4-5-8(11(14)15)10-12-7(2)6-9(13-10)16-3/h6,8H,4-5H2,1-3H3,(H,14,15)
InChIKeySFUIGDTXYXZMKU-UHFFFAOYSA-N
XLogP1.76
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2-(4-methoxy-6-methylpyrimidin-2-yl)propanedioate
CID 104573497
3-(4-chlorophenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)propanoic acid
CID 104573417
2-(4,6-dimethoxypyrimidin-2-yl)-4-methylpentanoic acid
CID 113428058
(2R)-2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide
CID 107600196
(2S)-2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide
CID 107600159
2-(difluoromethyl)-4-methoxy-6-methylpyrimidine
CID 176691048
2-[4-(6-methoxy-3-pyridinyl)phenyl]pentanoic acid
CID 68886862
2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide
CID 107600470
2-(4-methoxy-6-methylpyrimidin-2-yl)propanedinitrile
CID 130524058
2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butanoic acid
CID 116896338
(2S)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]pentanoic acid
CID 107629256
2-methoxy-6-methylpyridine-4-carboxylic acid;hydrochloride
CID 112756430

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-6-methylpyrimidin-2-yl)pentanoic acid?
The IUPAC name of 2-(4-methoxy-6-methylpyrimidin-2-yl)pentanoic acid (CID 104571914) is 2-(4-methoxy-6-methylpyrimidin-2-yl)pentanoic acid.
What is the SMILES notation for 2-(4-methoxy-6-methylpyrimidin-2-yl)pentanoic acid?
The canonical SMILES for 2-(4-methoxy-6-methylpyrimidin-2-yl)pentanoic acid is CCCC(C(=O)O)c1nc(C)cc(OC)n1.
What is the InChIKey of 2-(4-methoxy-6-methylpyrimidin-2-yl)pentanoic acid?
The InChIKey is SFUIGDTXYXZMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-5-8(11(14)15)10-12-7(2)6-9(13-10)16-3/h6,8H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-(4-methoxy-6-methylpyrimidin-2-yl)pentanoic acid?
2-(4-methoxy-6-methylpyrimidin-2-yl)pentanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-6-methylpyrimidin-2-yl)pentanoic acid is sourced from PubChem (CID 104571914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).