4-N-(3-methylcyclobutyl)quinazoline-4,6-diamine

C13H16N4 — CID 113467100

IUPAC4-N-(3-methylcyclobutyl)quinazoline-4,6-diamine
SMILESCC1CC(Nc2ncnc3ccc(N)cc23)C1
InChIInChI=1S/C13H16N4/c1-8-4-10(5-8)17-13-11-6-9(14)2-3-12(11)15-7-16-13/h2-3,6-8,10H,4-5,14H2,1H3,(H,15,16,17)
InChIKeyBPGYOGDHUKMGLX-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.42
Rot. Bonds2

About 4-N-(3-methylcyclobutyl)quinazoline-4,6-diamine

4-N-(3-methylcyclobutyl)quinazoline-4,6-diamine (PubChem CID 113467100) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-N-(3-methylcyclobutyl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methylcyclobutyl)quinazoline-4,6-diamine
PubChem CID113467100
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-N-(3-methylcyclobutyl)quinazoline-4,6-diamine
SMILESCC1CC(Nc2ncnc3ccc(N)cc23)C1
InChIInChI=1S/C13H16N4/c1-8-4-10(5-8)17-13-11-6-9(14)2-3-12(11)15-7-16-13/h2-3,6-8,10H,4-5,14H2,1H3,(H,15,16,17)
InChIKeyBPGYOGDHUKMGLX-UHFFFAOYSA-N
XLogP2.42
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylcyclobutyl)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(3-methylcyclobutyl)quinazoline-4,6-diamine (CID 113467100) is 4-N-(3-methylcyclobutyl)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(3-methylcyclobutyl)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(3-methylcyclobutyl)quinazoline-4,6-diamine is CC1CC(Nc2ncnc3ccc(N)cc23)C1.
What is the InChIKey of 4-N-(3-methylcyclobutyl)quinazoline-4,6-diamine?
The InChIKey is BPGYOGDHUKMGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-8-4-10(5-8)17-13-11-6-9(14)2-3-12(11)15-7-16-13/h2-3,6-8,10H,4-5,14H2,1H3,(H,15,16,17).
What are the key properties of 4-N-(3-methylcyclobutyl)quinazoline-4,6-diamine?
4-N-(3-methylcyclobutyl)quinazoline-4,6-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylcyclobutyl)quinazoline-4,6-diamine is sourced from PubChem (CID 113467100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).