4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]pyrimidine-5-carboxylic acid

C14H21N3O3 — CID 102974511

IUPAC4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]pyrimidine-5-carboxylic acid
SMILESCC1(C)CN(Cc2ncncc2C(=O)O)CC(C)(C)O1
InChIInChI=1S/C14H21N3O3/c1-13(2)7-17(8-14(3,4)20-13)6-11-10(12(18)19)5-15-9-16-11/h5,9H,6-8H2,1-4H3,(H,18,19)
InChIKeyBYYGYJMVCISWJY-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.56
Rot. Bonds3

About 4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]pyrimidine-5-carboxylic acid

4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]pyrimidine-5-carboxylic acid (PubChem CID 102974511) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]pyrimidine-5-carboxylic acid
PubChem CID102974511
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]pyrimidine-5-carboxylic acid
SMILESCC1(C)CN(Cc2ncncc2C(=O)O)CC(C)(C)O1
InChIInChI=1S/C14H21N3O3/c1-13(2)7-17(8-14(3,4)20-13)6-11-10(12(18)19)5-15-9-16-11/h5,9H,6-8H2,1-4H3,(H,18,19)
InChIKeyBYYGYJMVCISWJY-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]pyrimidine-5-carboxylic acid (CID 102974511) is 4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]pyrimidine-5-carboxylic acid is CC1(C)CN(Cc2ncncc2C(=O)O)CC(C)(C)O1.
What is the InChIKey of 4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]pyrimidine-5-carboxylic acid?
The InChIKey is BYYGYJMVCISWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-13(2)7-17(8-14(3,4)20-13)6-11-10(12(18)19)5-15-9-16-11/h5,9H,6-8H2,1-4H3,(H,18,19).
What are the key properties of 4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]pyrimidine-5-carboxylic acid?
4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]pyrimidine-5-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 102974511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).