5-fluoro-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine

C26H24FN3 — CID 139208022

IUPAC5-fluoro-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCC(C)c1ccccc1-c1ncc(F)c(NCc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C26H24FN3/c1-18(2)22-10-6-7-11-23(22)25-29-17-24(27)26(30-25)28-16-19-12-14-21(15-13-19)20-8-4-3-5-9-20/h3-15,17-18H,16H2,1-2H3,(H,28,29,30)
InChIKeyFSNHHVDTKUQAHF-UHFFFAOYSA-N
MW397.50 g/mol
LogP6.69
Rot. Bonds6

About 5-fluoro-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine

5-fluoro-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine (PubChem CID 139208022) has the molecular formula C26H24FN3 and a molecular weight of 397.50 g/mol. Its IUPAC name is 5-fluoro-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine
PubChem CID139208022
Molecular FormulaC26H24FN3
Molecular Weight397.50 g/mol
Exact Mass397.20
IUPAC Name5-fluoro-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCC(C)c1ccccc1-c1ncc(F)c(NCc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C26H24FN3/c1-18(2)22-10-6-7-11-23(22)25-29-17-24(27)26(30-25)28-16-19-12-14-21(15-13-19)20-8-4-3-5-9-20/h3-15,17-18H,16H2,1-2H3,(H,28,29,30)
InChIKeyFSNHHVDTKUQAHF-UHFFFAOYSA-N
XLogP6.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine (CID 139208022) is 5-fluoro-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine is CC(C)c1ccccc1-c1ncc(F)c(NCc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 5-fluoro-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine?
The InChIKey is FSNHHVDTKUQAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3/c1-18(2)22-10-6-7-11-23(22)25-29-17-24(27)26(30-25)28-16-19-12-14-21(15-13-19)20-8-4-3-5-9-20/h3-15,17-18H,16H2,1-2H3,(H,28,29,30).
What are the key properties of 5-fluoro-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine?
5-fluoro-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine has a molecular weight of 397.50 g/mol, XLogP of 6.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 139208022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).