2-cyclobutyl-5-fluoro-1,2-dihydroquinazolin-4-amine

C12H14FN3 — CID 11020380

IUPAC2-cyclobutyl-5-fluoro-1,2-dihydroquinazolin-4-amine
SMILESNC1=NC(C2CCC2)Nc2cccc(F)c21
InChIInChI=1S/C12H14FN3/c13-8-5-2-6-9-10(8)11(14)16-12(15-9)7-3-1-4-7/h2,5-7,12,15H,1,3-4H2,(H2,14,16)
InChIKeyTWDKMKHCHFFGDT-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.08
Rot. Bonds1

About 2-cyclobutyl-5-fluoro-1,2-dihydroquinazolin-4-amine

2-cyclobutyl-5-fluoro-1,2-dihydroquinazolin-4-amine (PubChem CID 11020380) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-cyclobutyl-5-fluoro-1,2-dihydroquinazolin-4-amine.

Molecular Properties

Compound Name2-cyclobutyl-5-fluoro-1,2-dihydroquinazolin-4-amine
PubChem CID11020380
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name2-cyclobutyl-5-fluoro-1,2-dihydroquinazolin-4-amine
SMILESNC1=NC(C2CCC2)Nc2cccc(F)c21
InChIInChI=1S/C12H14FN3/c13-8-5-2-6-9-10(8)11(14)16-12(15-9)7-3-1-4-7/h2,5-7,12,15H,1,3-4H2,(H2,14,16)
InChIKeyTWDKMKHCHFFGDT-UHFFFAOYSA-N
XLogP2.08
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-fluoro-1,2-dihydroquinazolin-4-amine?
The IUPAC name of 2-cyclobutyl-5-fluoro-1,2-dihydroquinazolin-4-amine (CID 11020380) is 2-cyclobutyl-5-fluoro-1,2-dihydroquinazolin-4-amine.
What is the SMILES notation for 2-cyclobutyl-5-fluoro-1,2-dihydroquinazolin-4-amine?
The canonical SMILES for 2-cyclobutyl-5-fluoro-1,2-dihydroquinazolin-4-amine is NC1=NC(C2CCC2)Nc2cccc(F)c21.
What is the InChIKey of 2-cyclobutyl-5-fluoro-1,2-dihydroquinazolin-4-amine?
The InChIKey is TWDKMKHCHFFGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c13-8-5-2-6-9-10(8)11(14)16-12(15-9)7-3-1-4-7/h2,5-7,12,15H,1,3-4H2,(H2,14,16).
What are the key properties of 2-cyclobutyl-5-fluoro-1,2-dihydroquinazolin-4-amine?
2-cyclobutyl-5-fluoro-1,2-dihydroquinazolin-4-amine has a molecular weight of 219.26 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-fluoro-1,2-dihydroquinazolin-4-amine is sourced from PubChem (CID 11020380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).