2-pyrimidin-2-ylquinazolin-4-amine

C12H9N5 — CID 173199293

IUPAC2-pyrimidin-2-ylquinazolin-4-amine
SMILESNc1nc(-c2ncccn2)nc2ccccc12
InChIInChI=1S/C12H9N5/c13-10-8-4-1-2-5-9(8)16-12(17-10)11-14-6-3-7-15-11/h1-7H,(H2,13,16,17)
InChIKeyXRAJRUHWFULLGQ-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.67
Rot. Bonds1

About 2-pyrimidin-2-ylquinazolin-4-amine

2-pyrimidin-2-ylquinazolin-4-amine (PubChem CID 173199293) has the molecular formula C12H9N5 and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-pyrimidin-2-ylquinazolin-4-amine.

Molecular Properties

Compound Name2-pyrimidin-2-ylquinazolin-4-amine
PubChem CID173199293
Molecular FormulaC12H9N5
Molecular Weight223.24 g/mol
Exact Mass223.09
IUPAC Name2-pyrimidin-2-ylquinazolin-4-amine
SMILESNc1nc(-c2ncccn2)nc2ccccc12
InChIInChI=1S/C12H9N5/c13-10-8-4-1-2-5-9(8)16-12(17-10)11-14-6-3-7-15-11/h1-7H,(H2,13,16,17)
InChIKeyXRAJRUHWFULLGQ-UHFFFAOYSA-N
XLogP1.67
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylquinazolin-4-amine?
The IUPAC name of 2-pyrimidin-2-ylquinazolin-4-amine (CID 173199293) is 2-pyrimidin-2-ylquinazolin-4-amine.
What is the SMILES notation for 2-pyrimidin-2-ylquinazolin-4-amine?
The canonical SMILES for 2-pyrimidin-2-ylquinazolin-4-amine is Nc1nc(-c2ncccn2)nc2ccccc12.
What is the InChIKey of 2-pyrimidin-2-ylquinazolin-4-amine?
The InChIKey is XRAJRUHWFULLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5/c13-10-8-4-1-2-5-9(8)16-12(17-10)11-14-6-3-7-15-11/h1-7H,(H2,13,16,17).
What are the key properties of 2-pyrimidin-2-ylquinazolin-4-amine?
2-pyrimidin-2-ylquinazolin-4-amine has a molecular weight of 223.24 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylquinazolin-4-amine is sourced from PubChem (CID 173199293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).