5-fluoro-2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(2-propylphenyl)pyrimidine-2,4-diamine

C22H25FN4O2 — CID 156742595

IUPAC5-fluoro-2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(2-propylphenyl)pyrimidine-2,4-diamine
SMILESCCCc1ccccc1Nc1nc(Nc2ccc(OCCOC)cc2)ncc1F
InChIInChI=1S/C22H25FN4O2/c1-3-6-16-7-4-5-8-20(16)26-21-19(23)15-24-22(27-21)25-17-9-11-18(12-10-17)29-14-13-28-2/h4-5,7-12,15H,3,6,13-14H2,1-2H3,(H2,24,25,26,27)
InChIKeyDOMJTHVEADSKPI-UHFFFAOYSA-N
MW396.47 g/mol
LogP5.08
Rot. Bonds10

About 5-fluoro-2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(2-propylphenyl)pyrimidine-2,4-diamine

5-fluoro-2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(2-propylphenyl)pyrimidine-2,4-diamine (PubChem CID 156742595) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 5-fluoro-2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(2-propylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(2-propylphenyl)pyrimidine-2,4-diamine
PubChem CID156742595
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name5-fluoro-2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(2-propylphenyl)pyrimidine-2,4-diamine
SMILESCCCc1ccccc1Nc1nc(Nc2ccc(OCCOC)cc2)ncc1F
InChIInChI=1S/C22H25FN4O2/c1-3-6-16-7-4-5-8-20(16)26-21-19(23)15-24-22(27-21)25-17-9-11-18(12-10-17)29-14-13-28-2/h4-5,7-12,15H,3,6,13-14H2,1-2H3,(H2,24,25,26,27)
InChIKeyDOMJTHVEADSKPI-UHFFFAOYSA-N
XLogP5.08
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.47
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5,6-pentafluoro-N-[4-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 155578495
N'-(2-aminophenyl)-N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]octanediamide
CID 166068666
1-[2-[[2-[4-[3-[(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)oxy]propoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]but-3-en-2-one
CID 158783872
methyl 2-[[5-fluoro-2-(4-phenoxyanilino)pyrimidin-4-yl]amino]benzoate
CID 163212180
4-N-(3-aminophenyl)-5-fluoro-2-N-[4-(2-methoxyethoxymethoxy)phenyl]pyrimidine-2,4-diamine
CID 86724329
N-[3-[[5-fluoro-2-(4-propoxyanilino)pyrimidin-4-yl]amino]phenyl]-2,3-dihydroxypropanamide
CID 118179233
N-[2,4-dideuterio-5-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 71609779
N-(2-aminophenyl)-4-[[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]anilino]methyl]benzamide
CID 166068665
5-fluoro-2-(4-methoxyanilino)-4-[2-(sulfinatoamino)anilino]pyrimidine
CID 66953456
4-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]anilino]-N-hydroxybutanamide
CID 166068658
2,3,4,5-tetrafluoro-N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-6-(fluoromethyl)benzenesulfonamide
CID 169274895
5-fluoro-2-N-[4-(2-methoxyethoxy)phenyl]-4-N-spiro[1,2-dihydroindole-3,1'-cyclobutane]-6-ylpyrimidine-2,4-diamine
CID 118498484

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(2-propylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(2-propylphenyl)pyrimidine-2,4-diamine (CID 156742595) is 5-fluoro-2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(2-propylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(2-propylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(2-propylphenyl)pyrimidine-2,4-diamine is CCCc1ccccc1Nc1nc(Nc2ccc(OCCOC)cc2)ncc1F.
What is the InChIKey of 5-fluoro-2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(2-propylphenyl)pyrimidine-2,4-diamine?
The InChIKey is DOMJTHVEADSKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-3-6-16-7-4-5-8-20(16)26-21-19(23)15-24-22(27-21)25-17-9-11-18(12-10-17)29-14-13-28-2/h4-5,7-12,15H,3,6,13-14H2,1-2H3,(H2,24,25,26,27).
What are the key properties of 5-fluoro-2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(2-propylphenyl)pyrimidine-2,4-diamine?
5-fluoro-2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(2-propylphenyl)pyrimidine-2,4-diamine has a molecular weight of 396.47 g/mol, XLogP of 5.08, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(2-propylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 156742595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).