2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butanoic acid

C14H20N2O3 — CID 116896352

IUPAC2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butanoic acid
SMILESCCC(C(=O)O)c1nc(C)cc(C2CCOCC2)n1
InChIInChI=1S/C14H20N2O3/c1-3-11(14(17)18)13-15-9(2)8-12(16-13)10-4-6-19-7-5-10/h8,10-11H,3-7H2,1-2H3,(H,17,18)
InChIKeyILHKLXOYAHHJTK-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.26
Rot. Bonds4

About 2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butanoic acid

2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butanoic acid (PubChem CID 116896352) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butanoic acid.

Molecular Properties

Compound Name2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butanoic acid
PubChem CID116896352
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butanoic acid
SMILESCCC(C(=O)O)c1nc(C)cc(C2CCOCC2)n1
InChIInChI=1S/C14H20N2O3/c1-3-11(14(17)18)13-15-9(2)8-12(16-13)10-4-6-19-7-5-10/h8,10-11H,3-7H2,1-2H3,(H,17,18)
InChIKeyILHKLXOYAHHJTK-UHFFFAOYSA-N
XLogP2.26
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-1-amine
CID 116896609
1-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-one
CID 116895459
2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butanoic acid
CID 116896338
1-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-amine
CID 63319216
2-[4-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butanoic acid
CID 116903021
4-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-2-amine
CID 116893068
2-(azetidin-3-yl)-4-methyl-6-(oxan-4-yl)pyrimidine
CID 116893325
2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-amine
CID 116892590
2-amino-2-[4-(oxan-4-yl)pyrimidin-2-yl]acetic acid
CID 115041987
1-(4-cyclopropyl-6-methylpyrimidin-2-yl)ethanamine
CID 63318658
2-[3-(oxolan-3-yl)phenyl]butanoic acid
CID 171058887
2-amino-1-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol
CID 116895876

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butanoic acid?
The IUPAC name of 2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butanoic acid (CID 116896352) is 2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butanoic acid.
What is the SMILES notation for 2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butanoic acid?
The canonical SMILES for 2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butanoic acid is CCC(C(=O)O)c1nc(C)cc(C2CCOCC2)n1.
What is the InChIKey of 2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butanoic acid?
The InChIKey is ILHKLXOYAHHJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-11(14(17)18)13-15-9(2)8-12(16-13)10-4-6-19-7-5-10/h8,10-11H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butanoic acid?
2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butanoic acid is sourced from PubChem (CID 116896352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).