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

C24H18N6 — CID 51030636

IUPAC5-phenyl-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine
SMILESc1ccc(-c2cccc3nc(-c4cncnc4)nc(NCc4ccccn4)c23)cc1
InChIInChI=1S/C24H18N6/c1-2-7-17(8-3-1)20-10-6-11-21-22(20)24(28-15-19-9-4-5-12-27-19)30-23(29-21)18-13-25-16-26-14-18/h1-14,16H,15H2,(H,28,29,30)
InChIKeyUVJHJIXYGIZLLF-UHFFFAOYSA-N
MW390.45 g/mol
LogP4.76
Rot. Bonds5

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

5-phenyl-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine (PubChem CID 51030636) has the molecular formula C24H18N6 and a molecular weight of 390.45 g/mol. Its IUPAC name is 5-phenyl-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine.

Molecular Properties

Compound Name5-phenyl-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine
PubChem CID51030636
Molecular FormulaC24H18N6
Molecular Weight390.45 g/mol
Exact Mass390.16
IUPAC Name5-phenyl-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine
SMILESc1ccc(-c2cccc3nc(-c4cncnc4)nc(NCc4ccccn4)c23)cc1
InChIInChI=1S/C24H18N6/c1-2-7-17(8-3-1)20-10-6-11-21-22(20)24(28-15-19-9-4-5-12-27-19)30-23(29-21)18-13-25-16-26-14-18/h1-14,16H,15H2,(H,28,29,30)
InChIKeyUVJHJIXYGIZLLF-UHFFFAOYSA-N
XLogP4.76
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine?
The IUPAC name of 5-phenyl-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine (CID 51030636) is 5-phenyl-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine.
What is the SMILES notation for 5-phenyl-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine?
The canonical SMILES for 5-phenyl-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine is c1ccc(-c2cccc3nc(-c4cncnc4)nc(NCc4ccccn4)c23)cc1.
What is the InChIKey of 5-phenyl-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine?
The InChIKey is UVJHJIXYGIZLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6/c1-2-7-17(8-3-1)20-10-6-11-21-22(20)24(28-15-19-9-4-5-12-27-19)30-23(29-21)18-13-25-16-26-14-18/h1-14,16H,15H2,(H,28,29,30).
What are the key properties of 5-phenyl-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine?
5-phenyl-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine has a molecular weight of 390.45 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine is sourced from PubChem (CID 51030636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).