4-chloro-5-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-6-pyridin-4-ylpyrimidin-2-amine

C24H20ClFN4 — CID 22346599

IUPAC4-chloro-5-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-6-pyridin-4-ylpyrimidin-2-amine
SMILESCC(C)(Nc1nc(Cl)c(-c2ccc(F)cc2)c(-c2ccncc2)n1)c1ccccc1
InChIInChI=1S/C24H20ClFN4/c1-24(2,18-6-4-3-5-7-18)30-23-28-21(17-12-14-27-15-13-17)20(22(25)29-23)16-8-10-19(26)11-9-16/h3-15H,1-2H3,(H,28,29,30)
InChIKeyIZIBARAXNOEQJK-UHFFFAOYSA-N
MW418.90 g/mol
LogP6.35
Rot. Bonds5

About 4-chloro-5-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-6-pyridin-4-ylpyrimidin-2-amine

4-chloro-5-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-6-pyridin-4-ylpyrimidin-2-amine (PubChem CID 22346599) has the molecular formula C24H20ClFN4 and a molecular weight of 418.90 g/mol. Its IUPAC name is 4-chloro-5-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-6-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-5-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-6-pyridin-4-ylpyrimidin-2-amine
PubChem CID22346599
Molecular FormulaC24H20ClFN4
Molecular Weight418.90 g/mol
Exact Mass418.14
IUPAC Name4-chloro-5-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-6-pyridin-4-ylpyrimidin-2-amine
SMILESCC(C)(Nc1nc(Cl)c(-c2ccc(F)cc2)c(-c2ccncc2)n1)c1ccccc1
InChIInChI=1S/C24H20ClFN4/c1-24(2,18-6-4-3-5-7-18)30-23-28-21(17-12-14-27-15-13-17)20(22(25)29-23)16-8-10-19(26)11-9-16/h3-15H,1-2H3,(H,28,29,30)
InChIKeyIZIBARAXNOEQJK-UHFFFAOYSA-N
XLogP6.35
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.90
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-6-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-chloro-5-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-6-pyridin-4-ylpyrimidin-2-amine (CID 22346599) is 4-chloro-5-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-6-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-5-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-6-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-5-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-6-pyridin-4-ylpyrimidin-2-amine is CC(C)(Nc1nc(Cl)c(-c2ccc(F)cc2)c(-c2ccncc2)n1)c1ccccc1.
What is the InChIKey of 4-chloro-5-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-6-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is IZIBARAXNOEQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4/c1-24(2,18-6-4-3-5-7-18)30-23-28-21(17-12-14-27-15-13-17)20(22(25)29-23)16-8-10-19(26)11-9-16/h3-15H,1-2H3,(H,28,29,30).
What are the key properties of 4-chloro-5-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-6-pyridin-4-ylpyrimidin-2-amine?
4-chloro-5-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-6-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 418.90 g/mol, XLogP of 6.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-6-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 22346599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).