5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]pyrimidin-2-amine

C23H19F2N5O2 — CID 117078083

IUPAC5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]pyrimidin-2-amine
SMILESFc1cc(-c2nc(Nc3ccc(-c4cnco4)cc3)ncc2F)cc(N2CCOCC2)c1
InChIInChI=1S/C23H19F2N5O2/c24-17-9-16(10-19(11-17)30-5-7-31-8-6-30)22-20(25)12-27-23(29-22)28-18-3-1-15(2-4-18)21-13-26-14-32-21/h1-4,9-14H,5-8H2,(H,27,28,29)
InChIKeyMPNFBMZPNUHGRB-UHFFFAOYSA-N
MW435.43 g/mol
LogP4.66
Rot. Bonds5

About 5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]pyrimidin-2-amine

5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]pyrimidin-2-amine (PubChem CID 117078083) has the molecular formula C23H19F2N5O2 and a molecular weight of 435.43 g/mol. Its IUPAC name is 5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]pyrimidin-2-amine
PubChem CID117078083
Molecular FormulaC23H19F2N5O2
Molecular Weight435.43 g/mol
Exact Mass435.15
IUPAC Name5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]pyrimidin-2-amine
SMILESFc1cc(-c2nc(Nc3ccc(-c4cnco4)cc3)ncc2F)cc(N2CCOCC2)c1
InChIInChI=1S/C23H19F2N5O2/c24-17-9-16(10-19(11-17)30-5-7-31-8-6-30)22-20(25)12-27-23(29-22)28-18-3-1-15(2-4-18)21-13-26-14-32-21/h1-4,9-14H,5-8H2,(H,27,28,29)
InChIKeyMPNFBMZPNUHGRB-UHFFFAOYSA-N
XLogP4.66
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]pyrimidin-2-amine with MolForge

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Related Compounds

N-[3-(morpholin-4-ylmethyl)phenyl]-4-[[4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 127041806
(3-Methoxy-4-oxazol-5-yl-phenyl)-(4-morpholin-4-yl-6-phenyl-[1,3,5]triazin-2-yl)-amine
CID 22459655
3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-(oxazol-2-yl)phenyl)pyridin-2(1H)-one
CID 24879368
N-[3-[[5-cyclopropyl-2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 44464266
[2-Methoxy-6-(3-oxazol-5-yl-phenyl)-pyrimidin-4-yl]-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 53324534
N-[5-[(furan-2-ylmethylamino)methyl]-2-methylphenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 76332292
2-N-[3-fluoro-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-7-(4-fluorophenyl)-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 139430688
(5-Phenyl-oxazol-2-yl)-quinazolin-7-yl-amine
CID 44276665
(3-Methoxy-4-oxazol-5-yl-phenyl)-(4-methoxy-6-phenyl-pyrimidin-2-yl)-amine
CID 44336201
2,6-difluoro-N-[3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazin-2-yl]phenyl]benzamide
CID 44528969
N-(2,6-difluorophenyl)-3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]benzamide
CID 44529175
4-[[5-fluoro-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide
CID 77108436

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]pyrimidin-2-amine (CID 117078083) is 5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]pyrimidin-2-amine is Fc1cc(-c2nc(Nc3ccc(-c4cnco4)cc3)ncc2F)cc(N2CCOCC2)c1.
What is the InChIKey of 5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]pyrimidin-2-amine?
The InChIKey is MPNFBMZPNUHGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O2/c24-17-9-16(10-19(11-17)30-5-7-31-8-6-30)22-20(25)12-27-23(29-22)28-18-3-1-15(2-4-18)21-13-26-14-32-21/h1-4,9-14H,5-8H2,(H,27,28,29).
What are the key properties of 5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]pyrimidin-2-amine?
5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]pyrimidin-2-amine has a molecular weight of 435.43 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 117078083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).