8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine

C16H16N4O — CID 10265671

IUPAC8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine
SMILESCOc1cccc2c(Nc3ccccc3C)nc(N)nc12
InChIInChI=1S/C16H16N4O/c1-10-6-3-4-8-12(10)18-15-11-7-5-9-13(21-2)14(11)19-16(17)20-15/h3-9H,1-2H3,(H3,17,18,19,20)
InChIKeyBMMYBPLCDVKQHO-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.27
Rot. Bonds3

About 8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine

8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine (PubChem CID 10265671) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine
PubChem CID10265671
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine
SMILESCOc1cccc2c(Nc3ccccc3C)nc(N)nc12
InChIInChI=1S/C16H16N4O/c1-10-6-3-4-8-12(10)18-15-11-7-5-9-13(21-2)14(11)19-16(17)20-15/h3-9H,1-2H3,(H3,17,18,19,20)
InChIKeyBMMYBPLCDVKQHO-UHFFFAOYSA-N
XLogP3.27
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine (CID 10265671) is 8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine is COc1cccc2c(Nc3ccccc3C)nc(N)nc12.
What is the InChIKey of 8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine?
The InChIKey is BMMYBPLCDVKQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-6-3-4-8-12(10)18-15-11-7-5-9-13(21-2)14(11)19-16(17)20-15/h3-9H,1-2H3,(H3,17,18,19,20).
What are the key properties of 8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine?
8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine has a molecular weight of 280.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 10265671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).