5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine

C24H17FN6 — CID 51030641

IUPAC5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine
SMILESFc1ccc(-c2cccc3nc(-c4cncnc4)nc(NCc4ccccn4)c23)cc1
InChIInChI=1S/C24H17FN6/c25-18-9-7-16(8-10-18)20-5-3-6-21-22(20)24(29-14-19-4-1-2-11-28-19)31-23(30-21)17-12-26-15-27-13-17/h1-13,15H,14H2,(H,29,30,31)
InChIKeyYAGQCFROEHNHFC-UHFFFAOYSA-N
MW408.44 g/mol
LogP4.90
Rot. Bonds5

About 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine

5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine (PubChem CID 51030641) has the molecular formula C24H17FN6 and a molecular weight of 408.44 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine
PubChem CID51030641
Molecular FormulaC24H17FN6
Molecular Weight408.44 g/mol
Exact Mass408.15
IUPAC Name5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine
SMILESFc1ccc(-c2cccc3nc(-c4cncnc4)nc(NCc4ccccn4)c23)cc1
InChIInChI=1S/C24H17FN6/c25-18-9-7-16(8-10-18)20-5-3-6-21-22(20)24(29-14-19-4-1-2-11-28-19)31-23(30-21)17-12-26-15-27-13-17/h1-13,15H,14H2,(H,29,30,31)
InChIKeyYAGQCFROEHNHFC-UHFFFAOYSA-N
XLogP4.90
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine (CID 51030641) is 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine is Fc1ccc(-c2cccc3nc(-c4cncnc4)nc(NCc4ccccn4)c23)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine?
The InChIKey is YAGQCFROEHNHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN6/c25-18-9-7-16(8-10-18)20-5-3-6-21-22(20)24(29-14-19-4-1-2-11-28-19)31-23(30-21)17-12-26-15-27-13-17/h1-13,15H,14H2,(H,29,30,31).
What are the key properties of 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine?
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine has a molecular weight of 408.44 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine is sourced from PubChem (CID 51030641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).