5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine

C24H25F2N5O2 — CID 117077966

IUPAC5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESFc1cc(-c2nc(Nc3ccc(N4CCOCC4)cc3)ncc2F)cc(N2CCOCC2)c1
InChIInChI=1S/C24H25F2N5O2/c25-18-13-17(14-21(15-18)31-7-11-33-12-8-31)23-22(26)16-27-24(29-23)28-19-1-3-20(4-2-19)30-5-9-32-10-6-30/h1-4,13-16H,5-12H2,(H,27,28,29)
InChIKeyDOTHLJMXVONIDQ-UHFFFAOYSA-N
MW453.49 g/mol
LogP3.84
Rot. Bonds5

About 5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine

5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (PubChem CID 117077966) has the molecular formula C24H25F2N5O2 and a molecular weight of 453.49 g/mol. Its IUPAC name is 5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
PubChem CID117077966
Molecular FormulaC24H25F2N5O2
Molecular Weight453.49 g/mol
Exact Mass453.20
IUPAC Name5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESFc1cc(-c2nc(Nc3ccc(N4CCOCC4)cc3)ncc2F)cc(N2CCOCC2)c1
InChIInChI=1S/C24H25F2N5O2/c25-18-13-17(14-21(15-18)31-7-11-33-12-8-31)23-22(26)16-27-24(29-23)28-19-1-3-20(4-2-19)30-5-9-32-10-6-30/h1-4,13-16H,5-12H2,(H,27,28,29)
InChIKeyDOTHLJMXVONIDQ-UHFFFAOYSA-N
XLogP3.84
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 117078807
5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(imidazol-1-ylmethyl)phenyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 117078032
5-fluoro-4-(5-fluoro-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 24889684
N,5-difluoro-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 172590955
4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 11710471
5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 175582344
N-[3-[5-fluoro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1-methylindol-6-yl]prop-2-enamide
CID 164911607
1-[2-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,3-dihydro-1,2,4-triazol-5-yl]piperidin-4-ol
CID 163907168
N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-fluorophenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 25221138
4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methoxypiperidin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 25221250
5-fluoro-N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine
CID 68687886
N-[2-fluoro-5-[5-fluoro-2-(4-fluoro-3-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]prop-2-enamide
CID 118361636

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (CID 117077966) is 5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine is Fc1cc(-c2nc(Nc3ccc(N4CCOCC4)cc3)ncc2F)cc(N2CCOCC2)c1.
What is the InChIKey of 5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The InChIKey is DOTHLJMXVONIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O2/c25-18-13-17(14-21(15-18)31-7-11-33-12-8-31)23-22(26)16-27-24(29-23)28-19-1-3-20(4-2-19)30-5-9-32-10-6-30/h1-4,13-16H,5-12H2,(H,27,28,29).
What are the key properties of 5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine has a molecular weight of 453.49 g/mol, XLogP of 3.84, 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-morpholin-4-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 117077966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).