4-(2,6-dimethyloxan-4-yl)oxy-2-methylpyrimidine-5-carboxylic acid

C13H18N2O4 — CID 114213938

IUPAC4-(2,6-dimethyloxan-4-yl)oxy-2-methylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(OC2CC(C)OC(C)C2)n1
InChIInChI=1S/C13H18N2O4/c1-7-4-10(5-8(2)18-7)19-12-11(13(16)17)6-14-9(3)15-12/h6-8,10H,4-5H2,1-3H3,(H,16,17)
InChIKeyAJRKIKGUWDMOQP-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.82
Rot. Bonds3

About 4-(2,6-dimethyloxan-4-yl)oxy-2-methylpyrimidine-5-carboxylic acid

4-(2,6-dimethyloxan-4-yl)oxy-2-methylpyrimidine-5-carboxylic acid (PubChem CID 114213938) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(2,6-dimethyloxan-4-yl)oxy-2-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(2,6-dimethyloxan-4-yl)oxy-2-methylpyrimidine-5-carboxylic acid
PubChem CID114213938
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-(2,6-dimethyloxan-4-yl)oxy-2-methylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(OC2CC(C)OC(C)C2)n1
InChIInChI=1S/C13H18N2O4/c1-7-4-10(5-8(2)18-7)19-12-11(13(16)17)6-14-9(3)15-12/h6-8,10H,4-5H2,1-3H3,(H,16,17)
InChIKeyAJRKIKGUWDMOQP-UHFFFAOYSA-N
XLogP1.82
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-dimethyloxan-4-yl)oxy-4-methylbenzoic acid
CID 113369129
2,4-dimethylpyrimidine-5-carboxylic acid
CID 6487595
4-[(2,6-dimethyloxan-4-yl)oxymethyl]pyrimidine-5-carboxylic acid
CID 102973701
4-[(3,5-dimethylcyclohexyl)amino]-2-methylpyrimidine-5-carboxylic acid
CID 114214465
2-methyl-4-(3-methylcyclohexyl)oxypyrimidine-5-carboximidamide
CID 112755848
4-(5-bromo-2-methylphenoxy)-2-methylpyrimidine-5-carboxylic acid
CID 114213953
[2-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-3-pyridinyl]methanol
CID 114034719
2-[(2S,6R)-2,6-dimethyloxan-4-yl]oxy-5-ethyl-4-methylpyridine
CID 176666936
4-(2-bromo-4-fluorophenoxy)-2-methylpyrimidine-5-carboxylic acid
CID 114213818
4-methyl-2-(3,3,5-trimethylcyclohexyl)oxypyrimidine-5-carboxylic acid
CID 83181126
ethyl 4-(3,5-dimethylcyclohexyl)oxy-2-methylsulfinylpyrimidine-5-carboxylate
CID 68931038
4-[cyclobutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid
CID 115148774

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyloxan-4-yl)oxy-2-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-(2,6-dimethyloxan-4-yl)oxy-2-methylpyrimidine-5-carboxylic acid (CID 114213938) is 4-(2,6-dimethyloxan-4-yl)oxy-2-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(2,6-dimethyloxan-4-yl)oxy-2-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(2,6-dimethyloxan-4-yl)oxy-2-methylpyrimidine-5-carboxylic acid is Cc1ncc(C(=O)O)c(OC2CC(C)OC(C)C2)n1.
What is the InChIKey of 4-(2,6-dimethyloxan-4-yl)oxy-2-methylpyrimidine-5-carboxylic acid?
The InChIKey is AJRKIKGUWDMOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-7-4-10(5-8(2)18-7)19-12-11(13(16)17)6-14-9(3)15-12/h6-8,10H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 4-(2,6-dimethyloxan-4-yl)oxy-2-methylpyrimidine-5-carboxylic acid?
4-(2,6-dimethyloxan-4-yl)oxy-2-methylpyrimidine-5-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyloxan-4-yl)oxy-2-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 114213938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).