azane;4-(4-fluorophenyl)-6-(4-pyridin-4-yloxyphenyl)pyrimidin-2-amine

C21H18FN5O — CID 68519512

IUPACazane;4-(4-fluorophenyl)-6-(4-pyridin-4-yloxyphenyl)pyrimidin-2-amine
SMILESN.Nc1nc(-c2ccc(F)cc2)cc(-c2ccc(Oc3ccncc3)cc2)n1
InChIInChI=1S/C21H15FN4O.H3N/c22-16-5-1-14(2-6-16)19-13-20(26-21(23)25-19)15-3-7-17(8-4-15)27-18-9-11-24-12-10-18;/h1-13H,(H2,23,25,26);1H3
InChIKeyAITDKSYSEOWODX-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.88
Rot. Bonds4

About azane;4-(4-fluorophenyl)-6-(4-pyridin-4-yloxyphenyl)pyrimidin-2-amine

azane;4-(4-fluorophenyl)-6-(4-pyridin-4-yloxyphenyl)pyrimidin-2-amine (PubChem CID 68519512) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is azane;4-(4-fluorophenyl)-6-(4-pyridin-4-yloxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Nameazane;4-(4-fluorophenyl)-6-(4-pyridin-4-yloxyphenyl)pyrimidin-2-amine
PubChem CID68519512
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Nameazane;4-(4-fluorophenyl)-6-(4-pyridin-4-yloxyphenyl)pyrimidin-2-amine
SMILESN.Nc1nc(-c2ccc(F)cc2)cc(-c2ccc(Oc3ccncc3)cc2)n1
InChIInChI=1S/C21H15FN4O.H3N/c22-16-5-1-14(2-6-16)19-13-20(26-21(23)25-19)15-3-7-17(8-4-15)27-18-9-11-24-12-10-18;/h1-13H,(H2,23,25,26);1H3
InChIKeyAITDKSYSEOWODX-UHFFFAOYSA-N
XLogP4.88
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of azane;4-(4-fluorophenyl)-6-(4-pyridin-4-yloxyphenyl)pyrimidin-2-amine?
The IUPAC name of azane;4-(4-fluorophenyl)-6-(4-pyridin-4-yloxyphenyl)pyrimidin-2-amine (CID 68519512) is azane;4-(4-fluorophenyl)-6-(4-pyridin-4-yloxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for azane;4-(4-fluorophenyl)-6-(4-pyridin-4-yloxyphenyl)pyrimidin-2-amine?
The canonical SMILES for azane;4-(4-fluorophenyl)-6-(4-pyridin-4-yloxyphenyl)pyrimidin-2-amine is N.Nc1nc(-c2ccc(F)cc2)cc(-c2ccc(Oc3ccncc3)cc2)n1.
What is the InChIKey of azane;4-(4-fluorophenyl)-6-(4-pyridin-4-yloxyphenyl)pyrimidin-2-amine?
The InChIKey is AITDKSYSEOWODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O.H3N/c22-16-5-1-14(2-6-16)19-13-20(26-21(23)25-19)15-3-7-17(8-4-15)27-18-9-11-24-12-10-18;/h1-13H,(H2,23,25,26);1H3.
What are the key properties of azane;4-(4-fluorophenyl)-6-(4-pyridin-4-yloxyphenyl)pyrimidin-2-amine?
azane;4-(4-fluorophenyl)-6-(4-pyridin-4-yloxyphenyl)pyrimidin-2-amine has a molecular weight of 375.41 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-(4-fluorophenyl)-6-(4-pyridin-4-yloxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 68519512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).