4-amino-2-morpholin-4-ylpyrimidine-5-carboxylic acid;2,2,2-trifluoro-1-(2-hydroxy-4-morpholin-4-ylphenyl)ethanone

C21H24F3N5O6 — CID 160572549

IUPAC4-amino-2-morpholin-4-ylpyrimidine-5-carboxylic acid;2,2,2-trifluoro-1-(2-hydroxy-4-morpholin-4-ylphenyl)ethanone
SMILESNc1nc(N2CCOCC2)ncc1C(=O)O.O=C(c1ccc(N2CCOCC2)cc1O)C(F)(F)F
InChIInChI=1S/C12H12F3NO3.C9H12N4O3/c13-12(14,15)11(18)9-2-1-8(7-10(9)17)16-3-5-19-6-4-16;10-7-6(8(14)15)5-11-9(12-7)13-1-3-16-4-2-13/h1-2,7,17H,3-6H2;5H,1-4H2,(H,14,15)(H2,10,11,12)
InChIKeyRASSTAWWBODVQW-UHFFFAOYSA-N
MW499.45 g/mol
LogP1.57
Rot. Bonds4

About 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylic acid;2,2,2-trifluoro-1-(2-hydroxy-4-morpholin-4-ylphenyl)ethanone

4-amino-2-morpholin-4-ylpyrimidine-5-carboxylic acid;2,2,2-trifluoro-1-(2-hydroxy-4-morpholin-4-ylphenyl)ethanone (PubChem CID 160572549) has the molecular formula C21H24F3N5O6 and a molecular weight of 499.45 g/mol. Its IUPAC name is 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylic acid;2,2,2-trifluoro-1-(2-hydroxy-4-morpholin-4-ylphenyl)ethanone.

Molecular Properties

Compound Name4-amino-2-morpholin-4-ylpyrimidine-5-carboxylic acid;2,2,2-trifluoro-1-(2-hydroxy-4-morpholin-4-ylphenyl)ethanone
PubChem CID160572549
Molecular FormulaC21H24F3N5O6
Molecular Weight499.45 g/mol
Exact Mass499.17
IUPAC Name4-amino-2-morpholin-4-ylpyrimidine-5-carboxylic acid;2,2,2-trifluoro-1-(2-hydroxy-4-morpholin-4-ylphenyl)ethanone
SMILESNc1nc(N2CCOCC2)ncc1C(=O)O.O=C(c1ccc(N2CCOCC2)cc1O)C(F)(F)F
InChIInChI=1S/C12H12F3NO3.C9H12N4O3/c13-12(14,15)11(18)9-2-1-8(7-10(9)17)16-3-5-19-6-4-16;10-7-6(8(14)15)5-11-9(12-7)13-1-3-16-4-2-13/h1-2,7,17H,3-6H2;5H,1-4H2,(H,14,15)(H2,10,11,12)
InChIKeyRASSTAWWBODVQW-UHFFFAOYSA-N
XLogP1.57
TPSA151.34 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.45
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

4-amino-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 53143912
bis(2,2,2-trifluoroacetic acid);2,2,2-trifluoro-1-[6-(4-morpholin-4-ylanilino)-3-pyridinyl]ethanone
CID 171930495
4-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 53144015
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
4-[(3-chlorophenoxy)methyl]-2-morpholin-4-ylpyrimidine-5-carboxylic acid
CID 75538620
4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53336276
5-amino-2-morpholin-4-ylpyridine-3-carboxylic acid
CID 53213919
N-(3-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504121
1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride
CID 70180295
4-methyl-2-morpholin-4-yl-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 66504104
N-methyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 58805177
N-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504421

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylic acid;2,2,2-trifluoro-1-(2-hydroxy-4-morpholin-4-ylphenyl)ethanone?
The IUPAC name of 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylic acid;2,2,2-trifluoro-1-(2-hydroxy-4-morpholin-4-ylphenyl)ethanone (CID 160572549) is 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylic acid;2,2,2-trifluoro-1-(2-hydroxy-4-morpholin-4-ylphenyl)ethanone.
What is the SMILES notation for 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylic acid;2,2,2-trifluoro-1-(2-hydroxy-4-morpholin-4-ylphenyl)ethanone?
The canonical SMILES for 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylic acid;2,2,2-trifluoro-1-(2-hydroxy-4-morpholin-4-ylphenyl)ethanone is Nc1nc(N2CCOCC2)ncc1C(=O)O.O=C(c1ccc(N2CCOCC2)cc1O)C(F)(F)F.
What is the InChIKey of 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylic acid;2,2,2-trifluoro-1-(2-hydroxy-4-morpholin-4-ylphenyl)ethanone?
The InChIKey is RASSTAWWBODVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO3.C9H12N4O3/c13-12(14,15)11(18)9-2-1-8(7-10(9)17)16-3-5-19-6-4-16;10-7-6(8(14)15)5-11-9(12-7)13-1-3-16-4-2-13/h1-2,7,17H,3-6H2;5H,1-4H2,(H,14,15)(H2,10,11,12).
What are the key properties of 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylic acid;2,2,2-trifluoro-1-(2-hydroxy-4-morpholin-4-ylphenyl)ethanone?
4-amino-2-morpholin-4-ylpyrimidine-5-carboxylic acid;2,2,2-trifluoro-1-(2-hydroxy-4-morpholin-4-ylphenyl)ethanone has a molecular weight of 499.45 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylic acid;2,2,2-trifluoro-1-(2-hydroxy-4-morpholin-4-ylphenyl)ethanone is sourced from PubChem (CID 160572549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).