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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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).