2-(2-methyloxan-2-yl)pyrimidine-4-carboxylic acid

C11H14N2O3 — CID 80681647

IUPAC2-(2-methyloxan-2-yl)pyrimidine-4-carboxylic acid
SMILESCC1(c2nccc(C(=O)O)n2)CCCCO1
InChIInChI=1S/C11H14N2O3/c1-11(5-2-3-7-16-11)10-12-6-4-8(13-10)9(14)15/h4,6H,2-3,5,7H2,1H3,(H,14,15)
InChIKeyZJRQFGYNGICHKP-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.59
Rot. Bonds2

About 2-(2-methyloxan-2-yl)pyrimidine-4-carboxylic acid

2-(2-methyloxan-2-yl)pyrimidine-4-carboxylic acid (PubChem CID 80681647) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(2-methyloxan-2-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methyloxan-2-yl)pyrimidine-4-carboxylic acid
PubChem CID80681647
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(2-methyloxan-2-yl)pyrimidine-4-carboxylic acid
SMILESCC1(c2nccc(C(=O)O)n2)CCCCO1
InChIInChI=1S/C11H14N2O3/c1-11(5-2-3-7-16-11)10-12-6-4-8(13-10)9(14)15/h4,6H,2-3,5,7H2,1H3,(H,14,15)
InChIKeyZJRQFGYNGICHKP-UHFFFAOYSA-N
XLogP1.59
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxan-2-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(2-methyloxan-2-yl)pyrimidine-4-carboxylic acid (CID 80681647) is 2-(2-methyloxan-2-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(2-methyloxan-2-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(2-methyloxan-2-yl)pyrimidine-4-carboxylic acid is CC1(c2nccc(C(=O)O)n2)CCCCO1.
What is the InChIKey of 2-(2-methyloxan-2-yl)pyrimidine-4-carboxylic acid?
The InChIKey is ZJRQFGYNGICHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-11(5-2-3-7-16-11)10-12-6-4-8(13-10)9(14)15/h4,6H,2-3,5,7H2,1H3,(H,14,15).
What are the key properties of 2-(2-methyloxan-2-yl)pyrimidine-4-carboxylic acid?
2-(2-methyloxan-2-yl)pyrimidine-4-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxan-2-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 80681647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).