ethane;2-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-1-[(3S)-3-methylmorpholin-4-yl]ethanone

C21H31FN4O2 — CID 178126698

IUPACethane;2-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-1-[(3S)-3-methylmorpholin-4-yl]ethanone
SMILESCC.CC.C[C@H]1COCCN1C(=O)CNc1cc(-c2ccc(F)cc2)ncn1
InChIInChI=1S/C17H19FN4O2.2C2H6/c1-12-10-24-7-6-22(12)17(23)9-19-16-8-15(20-11-21-16)13-2-4-14(18)5-3-13;2*1-2/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,19,20,21);2*1-2H3/t12-;;/m0../s1
InChIKeyVUHMZENVHRRLLO-LTCKWSDVSA-N
MW390.50 g/mol
LogP3.99
Rot. Bonds4

About ethane;2-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-1-[(3S)-3-methylmorpholin-4-yl]ethanone

ethane;2-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-1-[(3S)-3-methylmorpholin-4-yl]ethanone (PubChem CID 178126698) has the molecular formula C21H31FN4O2 and a molecular weight of 390.50 g/mol. Its IUPAC name is ethane;2-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-1-[(3S)-3-methylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Nameethane;2-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-1-[(3S)-3-methylmorpholin-4-yl]ethanone
PubChem CID178126698
Molecular FormulaC21H31FN4O2
Molecular Weight390.50 g/mol
Exact Mass390.24
IUPAC Nameethane;2-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-1-[(3S)-3-methylmorpholin-4-yl]ethanone
SMILESCC.CC.C[C@H]1COCCN1C(=O)CNc1cc(-c2ccc(F)cc2)ncn1
InChIInChI=1S/C17H19FN4O2.2C2H6/c1-12-10-24-7-6-22(12)17(23)9-19-16-8-15(20-11-21-16)13-2-4-14(18)5-3-13;2*1-2/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,19,20,21);2*1-2H3/t12-;;/m0../s1
InChIKeyVUHMZENVHRRLLO-LTCKWSDVSA-N
XLogP3.99
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethane;2-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-1-[(3S)-3-methylmorpholin-4-yl]ethanone with MolForge

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Related Compounds

3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one
CID 110631026
1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione
CID 110309820
2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone
CID 43542226
N-[5-[6-cyano-5-[[2-(3-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
CID 121271891
4-ethyl-3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)hexan-1-one
CID 110354702
[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94095663
4-amino-N-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 106774568
[2-(methylamino)-4-pyridinyl]-(3-methylmorpholin-4-yl)methanone
CID 55047498
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-propylpiperidine-4-carboxamide
CID 53005508
[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343536
2-(4-fluorophenoxy)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327933
(2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832545

Frequently Asked Questions

What is the IUPAC name of ethane;2-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-1-[(3S)-3-methylmorpholin-4-yl]ethanone?
The IUPAC name of ethane;2-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-1-[(3S)-3-methylmorpholin-4-yl]ethanone (CID 178126698) is ethane;2-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-1-[(3S)-3-methylmorpholin-4-yl]ethanone.
What is the SMILES notation for ethane;2-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-1-[(3S)-3-methylmorpholin-4-yl]ethanone?
The canonical SMILES for ethane;2-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-1-[(3S)-3-methylmorpholin-4-yl]ethanone is CC.CC.C[C@H]1COCCN1C(=O)CNc1cc(-c2ccc(F)cc2)ncn1.
What is the InChIKey of ethane;2-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-1-[(3S)-3-methylmorpholin-4-yl]ethanone?
The InChIKey is VUHMZENVHRRLLO-LTCKWSDVSA-N. The full InChI is InChI=1S/C17H19FN4O2.2C2H6/c1-12-10-24-7-6-22(12)17(23)9-19-16-8-15(20-11-21-16)13-2-4-14(18)5-3-13;2*1-2/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,19,20,21);2*1-2H3/t12-;;/m0../s1.
What are the key properties of ethane;2-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-1-[(3S)-3-methylmorpholin-4-yl]ethanone?
ethane;2-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-1-[(3S)-3-methylmorpholin-4-yl]ethanone has a molecular weight of 390.50 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-1-[(3S)-3-methylmorpholin-4-yl]ethanone is sourced from PubChem (CID 178126698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).