5-(3,3-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid

C14H21N3O3 — CID 62088471

IUPAC5-(3,3-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(N2CCOCC2(C)C)c(C(=O)O)n1
InChIInChI=1S/C14H21N3O3/c1-9(2)12-15-7-10(11(16-12)13(18)19)17-5-6-20-8-14(17,3)4/h7,9H,5-6,8H2,1-4H3,(H,18,19)
InChIKeyTXBQGWLZHNASBU-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.91
Rot. Bonds3

About 5-(3,3-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid

5-(3,3-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 62088471) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-(3,3-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-(3,3-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID62088471
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name5-(3,3-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(N2CCOCC2(C)C)c(C(=O)O)n1
InChIInChI=1S/C14H21N3O3/c1-9(2)12-15-7-10(11(16-12)13(18)19)17-5-6-20-8-14(17,3)4/h7,9H,5-6,8H2,1-4H3,(H,18,19)
InChIKeyTXBQGWLZHNASBU-UHFFFAOYSA-N
XLogP1.91
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-(3,3-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 62088471) is 5-(3,3-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-(3,3-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-(3,3-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid is CC(C)c1ncc(N2CCOCC2(C)C)c(C(=O)O)n1.
What is the InChIKey of 5-(3,3-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is TXBQGWLZHNASBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)12-15-7-10(11(16-12)13(18)19)17-5-6-20-8-14(17,3)4/h7,9H,5-6,8H2,1-4H3,(H,18,19).
What are the key properties of 5-(3,3-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-(3,3-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 62088471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).