2-(2,2-dimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid

C11H15N3O3 — CID 107553663

IUPAC2-(2,2-dimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid
SMILESCC1(C)CN(c2nccc(C(=O)O)n2)CCO1
InChIInChI=1S/C11H15N3O3/c1-11(2)7-14(5-6-17-11)10-12-4-3-8(13-10)9(15)16/h3-4H,5-7H2,1-2H3,(H,15,16)
InChIKeyWWXWTOFBGRDDGF-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.79
Rot. Bonds2

About 2-(2,2-dimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid

2-(2,2-dimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid (PubChem CID 107553663) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid
PubChem CID107553663
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid
SMILESCC1(C)CN(c2nccc(C(=O)O)n2)CCO1
InChIInChI=1S/C11H15N3O3/c1-11(2)7-14(5-6-17-11)10-12-4-3-8(13-10)9(15)16/h3-4H,5-7H2,1-2H3,(H,15,16)
InChIKeyWWXWTOFBGRDDGF-UHFFFAOYSA-N
XLogP0.79
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid (CID 107553663) is 2-(2,2-dimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid is CC1(C)CN(c2nccc(C(=O)O)n2)CCO1.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid?
The InChIKey is WWXWTOFBGRDDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-11(2)7-14(5-6-17-11)10-12-4-3-8(13-10)9(15)16/h3-4H,5-7H2,1-2H3,(H,15,16).
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid?
2-(2,2-dimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).