8-chloro-4-cyclobutylquinazolin-2-amine

C12H12ClN3 — CID 105493786

IUPAC8-chloro-4-cyclobutylquinazolin-2-amine
SMILESNc1nc(C2CCC2)c2cccc(Cl)c2n1
InChIInChI=1S/C12H12ClN3/c13-9-6-2-5-8-10(7-3-1-4-7)15-12(14)16-11(8)9/h2,5-7H,1,3-4H2,(H2,14,15,16)
InChIKeyRSTUZTHMKAGSHU-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.13
Rot. Bonds1

About 8-chloro-4-cyclobutylquinazolin-2-amine

8-chloro-4-cyclobutylquinazolin-2-amine (PubChem CID 105493786) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 8-chloro-4-cyclobutylquinazolin-2-amine.

Molecular Properties

Compound Name8-chloro-4-cyclobutylquinazolin-2-amine
PubChem CID105493786
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name8-chloro-4-cyclobutylquinazolin-2-amine
SMILESNc1nc(C2CCC2)c2cccc(Cl)c2n1
InChIInChI=1S/C12H12ClN3/c13-9-6-2-5-8-10(7-3-1-4-7)15-12(14)16-11(8)9/h2,5-7H,1,3-4H2,(H2,14,15,16)
InChIKeyRSTUZTHMKAGSHU-UHFFFAOYSA-N
XLogP3.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-cyclobutylquinazolin-2-amine?
The IUPAC name of 8-chloro-4-cyclobutylquinazolin-2-amine (CID 105493786) is 8-chloro-4-cyclobutylquinazolin-2-amine.
What is the SMILES notation for 8-chloro-4-cyclobutylquinazolin-2-amine?
The canonical SMILES for 8-chloro-4-cyclobutylquinazolin-2-amine is Nc1nc(C2CCC2)c2cccc(Cl)c2n1.
What is the InChIKey of 8-chloro-4-cyclobutylquinazolin-2-amine?
The InChIKey is RSTUZTHMKAGSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c13-9-6-2-5-8-10(7-3-1-4-7)15-12(14)16-11(8)9/h2,5-7H,1,3-4H2,(H2,14,15,16).
What are the key properties of 8-chloro-4-cyclobutylquinazolin-2-amine?
8-chloro-4-cyclobutylquinazolin-2-amine has a molecular weight of 233.70 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-cyclobutylquinazolin-2-amine is sourced from PubChem (CID 105493786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).