2-(5-ethyl-2-methylmorpholin-4-yl)-6-methylpyrimidine-4-carboxylic acid

C13H19N3O3 — CID 107553797

IUPAC2-(5-ethyl-2-methylmorpholin-4-yl)-6-methylpyrimidine-4-carboxylic acid
SMILESCCC1COC(C)CN1c1nc(C)cc(C(=O)O)n1
InChIInChI=1S/C13H19N3O3/c1-4-10-7-19-9(3)6-16(10)13-14-8(2)5-11(15-13)12(17)18/h5,9-10H,4,6-7H2,1-3H3,(H,17,18)
InChIKeyUPYCRVDALNAFAX-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.49
Rot. Bonds3

About 2-(5-ethyl-2-methylmorpholin-4-yl)-6-methylpyrimidine-4-carboxylic acid

2-(5-ethyl-2-methylmorpholin-4-yl)-6-methylpyrimidine-4-carboxylic acid (PubChem CID 107553797) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylmorpholin-4-yl)-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-ethyl-2-methylmorpholin-4-yl)-6-methylpyrimidine-4-carboxylic acid
PubChem CID107553797
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(5-ethyl-2-methylmorpholin-4-yl)-6-methylpyrimidine-4-carboxylic acid
SMILESCCC1COC(C)CN1c1nc(C)cc(C(=O)O)n1
InChIInChI=1S/C13H19N3O3/c1-4-10-7-19-9(3)6-16(10)13-14-8(2)5-11(15-13)12(17)18/h5,9-10H,4,6-7H2,1-3H3,(H,17,18)
InChIKeyUPYCRVDALNAFAX-UHFFFAOYSA-N
XLogP1.49
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 61424915
[4-(5-ethyl-2-methylmorpholin-4-yl)-2,6-dimethyl-3-pyridinyl]methanamine
CID 81051008
4-(2,5-dimethylmorpholin-4-yl)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053763
2-(2-ethyl-1,4-oxazepan-4-yl)-6-methylpyrimidine-4-carboxylic acid
CID 114218802
4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine
CID 61424002
2-(3-hydroxyazetidin-1-yl)-6-methylpyrimidine-4-carboxylic acid
CID 131107872
4-(5-ethyl-2-methylmorpholin-4-yl)pyrimidin-2-amine
CID 80795705
1-[2-(5-ethyl-2-methylmorpholin-4-yl)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 62289026
4-(6-bromo-2-pyridinyl)-5-ethyl-2-methylmorpholine
CID 63963227
2-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyrimidine-4-carboxylic acid
CID 107553733
6-(5-ethyl-2-methylmorpholin-4-yl)pyridin-2-amine
CID 80653171
3-(5-ethyl-2-methylmorpholine-4-carbonyl)benzoic acid
CID 61424863

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)-6-methylpyrimidine-4-carboxylic acid (CID 107553797) is 2-(5-ethyl-2-methylmorpholin-4-yl)-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(5-ethyl-2-methylmorpholin-4-yl)-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(5-ethyl-2-methylmorpholin-4-yl)-6-methylpyrimidine-4-carboxylic acid is CCC1COC(C)CN1c1nc(C)cc(C(=O)O)n1.
What is the InChIKey of 2-(5-ethyl-2-methylmorpholin-4-yl)-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is UPYCRVDALNAFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-10-7-19-9(3)6-16(10)13-14-8(2)5-11(15-13)12(17)18/h5,9-10H,4,6-7H2,1-3H3,(H,17,18).
What are the key properties of 2-(5-ethyl-2-methylmorpholin-4-yl)-6-methylpyrimidine-4-carboxylic acid?
2-(5-ethyl-2-methylmorpholin-4-yl)-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylmorpholin-4-yl)-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).