4-N-(2,4,6-trimethylphenyl)quinazoline-4,7-diamine

C17H18N4 — CID 141449290

IUPAC4-N-(2,4,6-trimethylphenyl)quinazoline-4,7-diamine
SMILESCc1cc(C)c(Nc2ncnc3cc(N)ccc23)c(C)c1
InChIInChI=1S/C17H18N4/c1-10-6-11(2)16(12(3)7-10)21-17-14-5-4-13(18)8-15(14)19-9-20-17/h4-9H,18H2,1-3H3,(H,19,20,21)
InChIKeyPMHVAVRJZUMGJL-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.88
Rot. Bonds2

About 4-N-(2,4,6-trimethylphenyl)quinazoline-4,7-diamine

4-N-(2,4,6-trimethylphenyl)quinazoline-4,7-diamine (PubChem CID 141449290) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-N-(2,4,6-trimethylphenyl)quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(2,4,6-trimethylphenyl)quinazoline-4,7-diamine
PubChem CID141449290
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name4-N-(2,4,6-trimethylphenyl)quinazoline-4,7-diamine
SMILESCc1cc(C)c(Nc2ncnc3cc(N)ccc23)c(C)c1
InChIInChI=1S/C17H18N4/c1-10-6-11(2)16(12(3)7-10)21-17-14-5-4-13(18)8-15(14)19-9-20-17/h4-9H,18H2,1-3H3,(H,19,20,21)
InChIKeyPMHVAVRJZUMGJL-UHFFFAOYSA-N
XLogP3.88
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.88
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-(2,4,6-trimethylphenyl)quinazoline-4,7-diamine?
The IUPAC name of 4-N-(2,4,6-trimethylphenyl)quinazoline-4,7-diamine (CID 141449290) is 4-N-(2,4,6-trimethylphenyl)quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-(2,4,6-trimethylphenyl)quinazoline-4,7-diamine?
The canonical SMILES for 4-N-(2,4,6-trimethylphenyl)quinazoline-4,7-diamine is Cc1cc(C)c(Nc2ncnc3cc(N)ccc23)c(C)c1.
What is the InChIKey of 4-N-(2,4,6-trimethylphenyl)quinazoline-4,7-diamine?
The InChIKey is PMHVAVRJZUMGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-10-6-11(2)16(12(3)7-10)21-17-14-5-4-13(18)8-15(14)19-9-20-17/h4-9H,18H2,1-3H3,(H,19,20,21).
What are the key properties of 4-N-(2,4,6-trimethylphenyl)quinazoline-4,7-diamine?
4-N-(2,4,6-trimethylphenyl)quinazoline-4,7-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4,6-trimethylphenyl)quinazoline-4,7-diamine is sourced from PubChem (CID 141449290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).