4-N-[2-(3-cyclobutyloxyphenyl)ethyl]quinazoline-4,6-diamine

C20H22N4O — CID 139981896

IUPAC4-N-[2-(3-cyclobutyloxyphenyl)ethyl]quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(NCCc3cccc(OC4CCC4)c3)c2c1
InChIInChI=1S/C20H22N4O/c21-15-7-8-19-18(12-15)20(24-13-23-19)22-10-9-14-3-1-6-17(11-14)25-16-4-2-5-16/h1,3,6-8,11-13,16H,2,4-5,9-10,21H2,(H,22,23,24)
InChIKeyLHNYUSKJGOJWHC-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.80
Rot. Bonds6

About 4-N-[2-(3-cyclobutyloxyphenyl)ethyl]quinazoline-4,6-diamine

4-N-[2-(3-cyclobutyloxyphenyl)ethyl]quinazoline-4,6-diamine (PubChem CID 139981896) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-N-[2-(3-cyclobutyloxyphenyl)ethyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(3-cyclobutyloxyphenyl)ethyl]quinazoline-4,6-diamine
PubChem CID139981896
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-N-[2-(3-cyclobutyloxyphenyl)ethyl]quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(NCCc3cccc(OC4CCC4)c3)c2c1
InChIInChI=1S/C20H22N4O/c21-15-7-8-19-18(12-15)20(24-13-23-19)22-10-9-14-3-1-6-17(11-14)25-16-4-2-5-16/h1,3,6-8,11-13,16H,2,4-5,9-10,21H2,(H,22,23,24)
InChIKeyLHNYUSKJGOJWHC-UHFFFAOYSA-N
XLogP3.80
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-[3-(2-fluoroethoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981903
4-N-[2-(3-propoxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981922
4-N-[2-[3-(4-methoxyphenoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981946
4-N-[2-[3-(3-methylbutoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981974
4-N-[2-(3-butan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981855
4-N-[2-(3-chlorophenyl)ethyl]quinazoline-4,6-diamine
CID 509543
4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine
CID 64590268
4-N-[2-[3-(pyrazin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981850
4-N-[2-[3-[(5-methylthiophen-2-yl)methoxy]phenyl]ethyl]quinazoline-4,6-diamine
CID 139981796
4-N-[2-(2-cyclopent-2-en-1-yloxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981968
4-N-[2-(4-pyridin-4-yloxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981848
4-N-[2-(4-but-3-enoxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981937

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3-cyclobutyloxyphenyl)ethyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[2-(3-cyclobutyloxyphenyl)ethyl]quinazoline-4,6-diamine (CID 139981896) is 4-N-[2-(3-cyclobutyloxyphenyl)ethyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[2-(3-cyclobutyloxyphenyl)ethyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[2-(3-cyclobutyloxyphenyl)ethyl]quinazoline-4,6-diamine is Nc1ccc2ncnc(NCCc3cccc(OC4CCC4)c3)c2c1.
What is the InChIKey of 4-N-[2-(3-cyclobutyloxyphenyl)ethyl]quinazoline-4,6-diamine?
The InChIKey is LHNYUSKJGOJWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-15-7-8-19-18(12-15)20(24-13-23-19)22-10-9-14-3-1-6-17(11-14)25-16-4-2-5-16/h1,3,6-8,11-13,16H,2,4-5,9-10,21H2,(H,22,23,24).
What are the key properties of 4-N-[2-(3-cyclobutyloxyphenyl)ethyl]quinazoline-4,6-diamine?
4-N-[2-(3-cyclobutyloxyphenyl)ethyl]quinazoline-4,6-diamine has a molecular weight of 334.42 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3-cyclobutyloxyphenyl)ethyl]quinazoline-4,6-diamine is sourced from PubChem (CID 139981896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).