2-(2,6-dimethylmorpholin-4-yl)-2-methyl-1H-pyrimidine-5-carboxylic acid

C12H19N3O3 — CID 118163922

IUPAC2-(2,6-dimethylmorpholin-4-yl)-2-methyl-1H-pyrimidine-5-carboxylic acid
SMILESCC1CN(C2(C)N=CC(C(=O)O)=CN2)CC(C)O1
InChIInChI=1S/C12H19N3O3/c1-8-6-15(7-9(2)18-8)12(3)13-4-10(5-14-12)11(16)17/h4-5,8-9,13H,6-7H2,1-3H3,(H,16,17)
InChIKeyIDEFSTAZQHCAJZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.41
Rot. Bonds2

About 2-(2,6-dimethylmorpholin-4-yl)-2-methyl-1H-pyrimidine-5-carboxylic acid

2-(2,6-dimethylmorpholin-4-yl)-2-methyl-1H-pyrimidine-5-carboxylic acid (PubChem CID 118163922) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-2-methyl-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-2-methyl-1H-pyrimidine-5-carboxylic acid
PubChem CID118163922
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-2-methyl-1H-pyrimidine-5-carboxylic acid
SMILESCC1CN(C2(C)N=CC(C(=O)O)=CN2)CC(C)O1
InChIInChI=1S/C12H19N3O3/c1-8-6-15(7-9(2)18-8)12(3)13-4-10(5-14-12)11(16)17/h4-5,8-9,13H,6-7H2,1-3H3,(H,16,17)
InChIKeyIDEFSTAZQHCAJZ-UHFFFAOYSA-N
XLogP0.41
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-2-methyl-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-2-methyl-1H-pyrimidine-5-carboxylic acid (CID 118163922) is 2-(2,6-dimethylmorpholin-4-yl)-2-methyl-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-2-methyl-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-2-methyl-1H-pyrimidine-5-carboxylic acid is CC1CN(C2(C)N=CC(C(=O)O)=CN2)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-2-methyl-1H-pyrimidine-5-carboxylic acid?
The InChIKey is IDEFSTAZQHCAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8-6-15(7-9(2)18-8)12(3)13-4-10(5-14-12)11(16)17/h4-5,8-9,13H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-2-methyl-1H-pyrimidine-5-carboxylic acid?
2-(2,6-dimethylmorpholin-4-yl)-2-methyl-1H-pyrimidine-5-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-2-methyl-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 118163922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).