1-[5-amino-6-(2,4-difluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]ethanone

C16H16F2N4O2 — CID 170711840

IUPAC1-[5-amino-6-(2,4-difluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]ethanone
SMILESCC(=O)c1nc(N2CCOCC2)nc(-c2ccc(F)cc2F)c1N
InChIInChI=1S/C16H16F2N4O2/c1-9(23)14-13(19)15(11-3-2-10(17)8-12(11)18)21-16(20-14)22-4-6-24-7-5-22/h2-3,8H,4-7,19H2,1H3
InChIKeyGOLMJPSVAAJKKR-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.04
Rot. Bonds3

About 1-[5-amino-6-(2,4-difluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]ethanone

1-[5-amino-6-(2,4-difluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]ethanone (PubChem CID 170711840) has the molecular formula C16H16F2N4O2 and a molecular weight of 334.33 g/mol. Its IUPAC name is 1-[5-amino-6-(2,4-difluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-amino-6-(2,4-difluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]ethanone
PubChem CID170711840
Molecular FormulaC16H16F2N4O2
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Name1-[5-amino-6-(2,4-difluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]ethanone
SMILESCC(=O)c1nc(N2CCOCC2)nc(-c2ccc(F)cc2F)c1N
InChIInChI=1S/C16H16F2N4O2/c1-9(23)14-13(19)15(11-3-2-10(17)8-12(11)18)21-16(20-14)22-4-6-24-7-5-22/h2-3,8H,4-7,19H2,1H3
InChIKeyGOLMJPSVAAJKKR-UHFFFAOYSA-N
XLogP2.04
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane
CID 166122258
1-(2,4-difluorophenyl)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)urea
CID 91968666
4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]morpholine;1-methylimidazole
CID 166122011
4-(2-chloro-4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 115505122
2-(2,4-difluorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122255103
2-(2,4-difluorophenyl)-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]acetamide
CID 122254848
morpholin-4-yl 4-(2-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 70247994
2-chloro-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-fluorobenzamide
CID 91968602
4-(5-fluoro-2-hydroxyphenyl)-8-methylsulfonyl-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 135934982
4-(2-fluorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-5-amine
CID 83286313
3-fluoro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 107795630
N-[N-[4-(4-ethyl-2-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-5-yl]-C-methylcarbonimidoyl]-N-methylformamide
CID 170711783

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-6-(2,4-difluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]ethanone?
The IUPAC name of 1-[5-amino-6-(2,4-difluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]ethanone (CID 170711840) is 1-[5-amino-6-(2,4-difluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]ethanone.
What is the SMILES notation for 1-[5-amino-6-(2,4-difluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]ethanone?
The canonical SMILES for 1-[5-amino-6-(2,4-difluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]ethanone is CC(=O)c1nc(N2CCOCC2)nc(-c2ccc(F)cc2F)c1N.
What is the InChIKey of 1-[5-amino-6-(2,4-difluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]ethanone?
The InChIKey is GOLMJPSVAAJKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O2/c1-9(23)14-13(19)15(11-3-2-10(17)8-12(11)18)21-16(20-14)22-4-6-24-7-5-22/h2-3,8H,4-7,19H2,1H3.
What are the key properties of 1-[5-amino-6-(2,4-difluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]ethanone?
1-[5-amino-6-(2,4-difluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]ethanone has a molecular weight of 334.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-6-(2,4-difluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]ethanone is sourced from PubChem (CID 170711840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).