4-N-butyl-5-(2-phenylethyl)quinazoline-2,4-diamine

C20H24N4 — CID 71041302

IUPAC4-N-butyl-5-(2-phenylethyl)quinazoline-2,4-diamine
SMILESCCCCNc1nc(N)nc2cccc(CCc3ccccc3)c12
InChIInChI=1S/C20H24N4/c1-2-3-14-22-19-18-16(13-12-15-8-5-4-6-9-15)10-7-11-17(18)23-20(21)24-19/h4-11H,2-3,12-14H2,1H3,(H3,21,22,23,24)
InChIKeyJZELESDWJSFUIG-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.21
Rot. Bonds7

About 4-N-butyl-5-(2-phenylethyl)quinazoline-2,4-diamine

4-N-butyl-5-(2-phenylethyl)quinazoline-2,4-diamine (PubChem CID 71041302) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-N-butyl-5-(2-phenylethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-5-(2-phenylethyl)quinazoline-2,4-diamine
PubChem CID71041302
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name4-N-butyl-5-(2-phenylethyl)quinazoline-2,4-diamine
SMILESCCCCNc1nc(N)nc2cccc(CCc3ccccc3)c12
InChIInChI=1S/C20H24N4/c1-2-3-14-22-19-18-16(13-12-15-8-5-4-6-9-15)10-7-11-17(18)23-20(21)24-19/h4-11H,2-3,12-14H2,1H3,(H3,21,22,23,24)
InChIKeyJZELESDWJSFUIG-UHFFFAOYSA-N
XLogP4.21
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-5-(2-phenylethyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-butyl-5-(2-phenylethyl)quinazoline-2,4-diamine (CID 71041302) is 4-N-butyl-5-(2-phenylethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-butyl-5-(2-phenylethyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-butyl-5-(2-phenylethyl)quinazoline-2,4-diamine is CCCCNc1nc(N)nc2cccc(CCc3ccccc3)c12.
What is the InChIKey of 4-N-butyl-5-(2-phenylethyl)quinazoline-2,4-diamine?
The InChIKey is JZELESDWJSFUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-2-3-14-22-19-18-16(13-12-15-8-5-4-6-9-15)10-7-11-17(18)23-20(21)24-19/h4-11H,2-3,12-14H2,1H3,(H3,21,22,23,24).
What are the key properties of 4-N-butyl-5-(2-phenylethyl)quinazoline-2,4-diamine?
4-N-butyl-5-(2-phenylethyl)quinazoline-2,4-diamine has a molecular weight of 320.44 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-5-(2-phenylethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 71041302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).