6-methyl-7-(2-methylphenyl)quinazoline-2,4-diamine

C16H16N4 — CID 56662749

IUPAC6-methyl-7-(2-methylphenyl)quinazoline-2,4-diamine
SMILESCc1ccccc1-c1cc2nc(N)nc(N)c2cc1C
InChIInChI=1S/C16H16N4/c1-9-5-3-4-6-11(9)12-8-14-13(7-10(12)2)15(17)20-16(18)19-14/h3-8H,1-2H3,(H4,17,18,19,20)
InChIKeyVHYYHLWFOUDYCI-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.08
Rot. Bonds1

About 6-methyl-7-(2-methylphenyl)quinazoline-2,4-diamine

6-methyl-7-(2-methylphenyl)quinazoline-2,4-diamine (PubChem CID 56662749) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-methyl-7-(2-methylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name6-methyl-7-(2-methylphenyl)quinazoline-2,4-diamine
PubChem CID56662749
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name6-methyl-7-(2-methylphenyl)quinazoline-2,4-diamine
SMILESCc1ccccc1-c1cc2nc(N)nc(N)c2cc1C
InChIInChI=1S/C16H16N4/c1-9-5-3-4-6-11(9)12-8-14-13(7-10(12)2)15(17)20-16(18)19-14/h3-8H,1-2H3,(H4,17,18,19,20)
InChIKeyVHYYHLWFOUDYCI-UHFFFAOYSA-N
XLogP3.08
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-(2-methylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 6-methyl-7-(2-methylphenyl)quinazoline-2,4-diamine (CID 56662749) is 6-methyl-7-(2-methylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 6-methyl-7-(2-methylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 6-methyl-7-(2-methylphenyl)quinazoline-2,4-diamine is Cc1ccccc1-c1cc2nc(N)nc(N)c2cc1C.
What is the InChIKey of 6-methyl-7-(2-methylphenyl)quinazoline-2,4-diamine?
The InChIKey is VHYYHLWFOUDYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-9-5-3-4-6-11(9)12-8-14-13(7-10(12)2)15(17)20-16(18)19-14/h3-8H,1-2H3,(H4,17,18,19,20).
What are the key properties of 6-methyl-7-(2-methylphenyl)quinazoline-2,4-diamine?
6-methyl-7-(2-methylphenyl)quinazoline-2,4-diamine has a molecular weight of 264.33 g/mol, XLogP of 3.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-(2-methylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 56662749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).