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

C12H15N3 — CID 10198117

IUPAC2-cyclobutyl-1,2-dihydroquinazolin-4-amine
SMILESNC1=NC(C2CCC2)Nc2ccccc21
InChIInChI=1S/C12H15N3/c13-11-9-6-1-2-7-10(9)14-12(15-11)8-4-3-5-8/h1-2,6-8,12,14H,3-5H2,(H2,13,15)
InChIKeyYQSLFNIIJBAELO-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.94
Rot. Bonds1

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

2-cyclobutyl-1,2-dihydroquinazolin-4-amine (PubChem CID 10198117) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-cyclobutyl-1,2-dihydroquinazolin-4-amine.

Molecular Properties

Compound Name2-cyclobutyl-1,2-dihydroquinazolin-4-amine
PubChem CID10198117
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-cyclobutyl-1,2-dihydroquinazolin-4-amine
SMILESNC1=NC(C2CCC2)Nc2ccccc21
InChIInChI=1S/C12H15N3/c13-11-9-6-1-2-7-10(9)14-12(15-11)8-4-3-5-8/h1-2,6-8,12,14H,3-5H2,(H2,13,15)
InChIKeyYQSLFNIIJBAELO-UHFFFAOYSA-N
XLogP1.94
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1,2-dihydroquinazolin-4-amine?
The IUPAC name of 2-cyclobutyl-1,2-dihydroquinazolin-4-amine (CID 10198117) is 2-cyclobutyl-1,2-dihydroquinazolin-4-amine.
What is the SMILES notation for 2-cyclobutyl-1,2-dihydroquinazolin-4-amine?
The canonical SMILES for 2-cyclobutyl-1,2-dihydroquinazolin-4-amine is NC1=NC(C2CCC2)Nc2ccccc21.
What is the InChIKey of 2-cyclobutyl-1,2-dihydroquinazolin-4-amine?
The InChIKey is YQSLFNIIJBAELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c13-11-9-6-1-2-7-10(9)14-12(15-11)8-4-3-5-8/h1-2,6-8,12,14H,3-5H2,(H2,13,15).
What are the key properties of 2-cyclobutyl-1,2-dihydroquinazolin-4-amine?
2-cyclobutyl-1,2-dihydroquinazolin-4-amine has a molecular weight of 201.27 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1,2-dihydroquinazolin-4-amine is sourced from PubChem (CID 10198117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).