7-fluoro-6-pyrimidin-5-ylquinazolin-4-amine

C12H8FN5 — CID 139454412

IUPAC7-fluoro-6-pyrimidin-5-ylquinazolin-4-amine
SMILESNc1ncnc2cc(F)c(-c3cncnc3)cc12
InChIInChI=1S/C12H8FN5/c13-10-2-11-9(12(14)18-6-17-11)1-8(10)7-3-15-5-16-4-7/h1-6H,(H2,14,17,18)
InChIKeyGPIBTCKFKWCARK-UHFFFAOYSA-N
MW241.23 g/mol
LogP1.81
Rot. Bonds1

About 7-fluoro-6-pyrimidin-5-ylquinazolin-4-amine

7-fluoro-6-pyrimidin-5-ylquinazolin-4-amine (PubChem CID 139454412) has the molecular formula C12H8FN5 and a molecular weight of 241.23 g/mol. Its IUPAC name is 7-fluoro-6-pyrimidin-5-ylquinazolin-4-amine.

Molecular Properties

Compound Name7-fluoro-6-pyrimidin-5-ylquinazolin-4-amine
PubChem CID139454412
Molecular FormulaC12H8FN5
Molecular Weight241.23 g/mol
Exact Mass241.08
IUPAC Name7-fluoro-6-pyrimidin-5-ylquinazolin-4-amine
SMILESNc1ncnc2cc(F)c(-c3cncnc3)cc12
InChIInChI=1S/C12H8FN5/c13-10-2-11-9(12(14)18-6-17-11)1-8(10)7-3-15-5-16-4-7/h1-6H,(H2,14,17,18)
InChIKeyGPIBTCKFKWCARK-UHFFFAOYSA-N
XLogP1.81
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-pyrimidin-5-ylquinazolin-4-amine?
The IUPAC name of 7-fluoro-6-pyrimidin-5-ylquinazolin-4-amine (CID 139454412) is 7-fluoro-6-pyrimidin-5-ylquinazolin-4-amine.
What is the SMILES notation for 7-fluoro-6-pyrimidin-5-ylquinazolin-4-amine?
The canonical SMILES for 7-fluoro-6-pyrimidin-5-ylquinazolin-4-amine is Nc1ncnc2cc(F)c(-c3cncnc3)cc12.
What is the InChIKey of 7-fluoro-6-pyrimidin-5-ylquinazolin-4-amine?
The InChIKey is GPIBTCKFKWCARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN5/c13-10-2-11-9(12(14)18-6-17-11)1-8(10)7-3-15-5-16-4-7/h1-6H,(H2,14,17,18).
What are the key properties of 7-fluoro-6-pyrimidin-5-ylquinazolin-4-amine?
7-fluoro-6-pyrimidin-5-ylquinazolin-4-amine has a molecular weight of 241.23 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-pyrimidin-5-ylquinazolin-4-amine is sourced from PubChem (CID 139454412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).