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

C20H24N4O — CID 139981855

IUPAC4-N-[2-(3-butan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine
SMILESCCC(C)Oc1cccc(CCNc2ncnc3ccc(N)cc23)c1
InChIInChI=1S/C20H24N4O/c1-3-14(2)25-17-6-4-5-15(11-17)9-10-22-20-18-12-16(21)7-8-19(18)23-13-24-20/h4-8,11-14H,3,9-10,21H2,1-2H3,(H,22,23,24)
InChIKeyFTMKJSWZFPDLBX-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.04
Rot. Bonds7

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

4-N-[2-(3-butan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine (PubChem CID 139981855) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-N-[2-(3-butan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(3-butan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine
PubChem CID139981855
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name4-N-[2-(3-butan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine
SMILESCCC(C)Oc1cccc(CCNc2ncnc3ccc(N)cc23)c1
InChIInChI=1S/C20H24N4O/c1-3-14(2)25-17-6-4-5-15(11-17)9-10-22-20-18-12-16(21)7-8-19(18)23-13-24-20/h4-8,11-14H,3,9-10,21H2,1-2H3,(H,22,23,24)
InChIKeyFTMKJSWZFPDLBX-UHFFFAOYSA-N
XLogP4.04
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.04
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-propoxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981922
4-N-[2-[3-(3-methylbutoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981974
4-N-[2-[3-(2-fluoroethoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981903
4-N-[2-[3-(4-methoxyphenoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981946
4-N-[2-(3-cyclobutyloxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981896
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-[(5-methylthiophen-2-yl)methoxy]phenyl]ethyl]quinazoline-4,6-diamine
CID 139981796
4-N-[2-[3-(pyrazin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981850
4-N-[2-[4-(3-methylbutoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981790
4-N-[2-(4-pyridin-4-yloxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981848
4-N-[2-[2-(3-methylbutoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981975

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3-butan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[2-(3-butan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine (CID 139981855) is 4-N-[2-(3-butan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[2-(3-butan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[2-(3-butan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine is CCC(C)Oc1cccc(CCNc2ncnc3ccc(N)cc23)c1.
What is the InChIKey of 4-N-[2-(3-butan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine?
The InChIKey is FTMKJSWZFPDLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-3-14(2)25-17-6-4-5-15(11-17)9-10-22-20-18-12-16(21)7-8-19(18)23-13-24-20/h4-8,11-14H,3,9-10,21H2,1-2H3,(H,22,23,24).
What are the key properties of 4-N-[2-(3-butan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine?
4-N-[2-(3-butan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine has a molecular weight of 336.44 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3-butan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine is sourced from PubChem (CID 139981855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).