4-N-(4-fluorophenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine

C19H17FN4 — CID 112879656

IUPAC4-N-(4-fluorophenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
SMILESC=CCNc1cc(Nc2ccc(F)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H17FN4/c1-2-12-21-17-13-18(22-16-10-8-15(20)9-11-16)24-19(23-17)14-6-4-3-5-7-14/h2-11,13H,1,12H2,(H2,21,22,23,24)
InChIKeyKTCJDLODSOZLEM-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.62
Rot. Bonds6

About 4-N-(4-fluorophenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine

4-N-(4-fluorophenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine (PubChem CID 112879656) has the molecular formula C19H17FN4 and a molecular weight of 320.37 g/mol. Its IUPAC name is 4-N-(4-fluorophenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-fluorophenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
PubChem CID112879656
Molecular FormulaC19H17FN4
Molecular Weight320.37 g/mol
Exact Mass320.14
IUPAC Name4-N-(4-fluorophenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
SMILESC=CCNc1cc(Nc2ccc(F)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H17FN4/c1-2-12-21-17-13-18(22-16-10-8-15(20)9-11-16)24-19(23-17)14-6-4-3-5-7-14/h2-11,13H,1,12H2,(H2,21,22,23,24)
InChIKeyKTCJDLODSOZLEM-UHFFFAOYSA-N
XLogP4.62
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluorophenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-fluorophenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine (CID 112879656) is 4-N-(4-fluorophenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-fluorophenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-fluorophenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine is C=CCNc1cc(Nc2ccc(F)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-(4-fluorophenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine?
The InChIKey is KTCJDLODSOZLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4/c1-2-12-21-17-13-18(22-16-10-8-15(20)9-11-16)24-19(23-17)14-6-4-3-5-7-14/h2-11,13H,1,12H2,(H2,21,22,23,24).
What are the key properties of 4-N-(4-fluorophenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine?
4-N-(4-fluorophenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine has a molecular weight of 320.37 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluorophenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine is sourced from PubChem (CID 112879656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).