[3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone

C21H20FN5O3 — CID 22060666

IUPAC[3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(Nc2ncc(F)c(Nc3cccc(O)c3)n2)c1)N1CCOCC1
InChIInChI=1S/C21H20FN5O3/c22-18-13-23-21(26-19(18)24-16-5-2-6-17(28)12-16)25-15-4-1-3-14(11-15)20(29)27-7-9-30-10-8-27/h1-6,11-13,28H,7-10H2,(H2,23,24,25,26)
InChIKeyGNJAODPPIBAPQU-UHFFFAOYSA-N
MW409.42 g/mol
LogP3.28
Rot. Bonds5

About [3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone

[3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 22060666) has the molecular formula C21H20FN5O3 and a molecular weight of 409.42 g/mol. Its IUPAC name is [3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
PubChem CID22060666
Molecular FormulaC21H20FN5O3
Molecular Weight409.42 g/mol
Exact Mass409.16
IUPAC Name[3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(Nc2ncc(F)c(Nc3cccc(O)c3)n2)c1)N1CCOCC1
InChIInChI=1S/C21H20FN5O3/c22-18-13-23-21(26-19(18)24-16-5-2-6-17(28)12-16)25-15-4-1-3-14(11-15)20(29)27-7-9-30-10-8-27/h1-6,11-13,28H,7-10H2,(H2,23,24,25,26)
InChIKeyGNJAODPPIBAPQU-UHFFFAOYSA-N
XLogP3.28
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-N-methylbenzamide
CID 22060808
1-[3-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 109252160
[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 100779117
3-[[5-fluoro-2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-N-hydroxybenzamide
CID 175329947
3-[[5-fluoro-4-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 68874854
tert-butyl N-[3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]carbamate
CID 155926735
methyl 3-[[5-fluoro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzoate
CID 162721140
N-[3-[[5-fluoro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyrimidin-2-yl]amino]phenyl]morpholine-4-carboxamide
CID 46937770
1-[3-[[4-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 109300644
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
3-[[2-(2H-1,4-benzoxazin-7-ylamino)-5-fluoropyrimidin-4-yl]amino]phenol
CID 66759945
2-[3-[[5-fluoro-4-(4-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenoxy]-N-methylacetamide
CID 118729110

Frequently Asked Questions

What is the IUPAC name of [3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone (CID 22060666) is [3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone is O=C(c1cccc(Nc2ncc(F)c(Nc3cccc(O)c3)n2)c1)N1CCOCC1.
What is the InChIKey of [3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is GNJAODPPIBAPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O3/c22-18-13-23-21(26-19(18)24-16-5-2-6-17(28)12-16)25-15-4-1-3-14(11-15)20(29)27-7-9-30-10-8-27/h1-6,11-13,28H,7-10H2,(H2,23,24,25,26).
What are the key properties of [3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
[3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 409.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 22060666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).