5-(4-fluorophenyl)-N-(2-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine

C22H17FN4O — CID 23000392

IUPAC5-(4-fluorophenyl)-N-(2-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine
SMILESCOc1ccccc1Nc1ncc(-c2ccc(F)cc2)c(-c2ccncc2)n1
InChIInChI=1S/C22H17FN4O/c1-28-20-5-3-2-4-19(20)26-22-25-14-18(15-6-8-17(23)9-7-15)21(27-22)16-10-12-24-13-11-16/h2-14H,1H3,(H,25,26,27)
InChIKeyCWEMLTMVMPIHTR-UHFFFAOYSA-N
MW372.40 g/mol
LogP5.10
Rot. Bonds5

About 5-(4-fluorophenyl)-N-(2-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine

5-(4-fluorophenyl)-N-(2-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine (PubChem CID 23000392) has the molecular formula C22H17FN4O and a molecular weight of 372.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(2-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(2-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine
PubChem CID23000392
Molecular FormulaC22H17FN4O
Molecular Weight372.40 g/mol
Exact Mass372.14
IUPAC Name5-(4-fluorophenyl)-N-(2-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine
SMILESCOc1ccccc1Nc1ncc(-c2ccc(F)cc2)c(-c2ccncc2)n1
InChIInChI=1S/C22H17FN4O/c1-28-20-5-3-2-4-19(20)26-22-25-14-18(15-6-8-17(23)9-7-15)21(27-22)16-10-12-24-13-11-16/h2-14H,1H3,(H,25,26,27)
InChIKeyCWEMLTMVMPIHTR-UHFFFAOYSA-N
XLogP5.10
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.40
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(2-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-(2-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine (CID 23000392) is 5-(4-fluorophenyl)-N-(2-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(2-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-(2-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine is COc1ccccc1Nc1ncc(-c2ccc(F)cc2)c(-c2ccncc2)n1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(2-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is CWEMLTMVMPIHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O/c1-28-20-5-3-2-4-19(20)26-22-25-14-18(15-6-8-17(23)9-7-15)21(27-22)16-10-12-24-13-11-16/h2-14H,1H3,(H,25,26,27).
What are the key properties of 5-(4-fluorophenyl)-N-(2-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine?
5-(4-fluorophenyl)-N-(2-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 372.40 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(2-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 23000392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).