4-N-methyl-4-N-(3-methylphenyl)quinazoline-4,7-diamine

C16H16N4 — CID 65336690

IUPAC4-N-methyl-4-N-(3-methylphenyl)quinazoline-4,7-diamine
SMILESCc1cccc(N(C)c2ncnc3cc(N)ccc23)c1
InChIInChI=1S/C16H16N4/c1-11-4-3-5-13(8-11)20(2)16-14-7-6-12(17)9-15(14)18-10-19-16/h3-10H,17H2,1-2H3
InChIKeyYDDCOJLGJIBYLY-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.29
Rot. Bonds2

About 4-N-methyl-4-N-(3-methylphenyl)quinazoline-4,7-diamine

4-N-methyl-4-N-(3-methylphenyl)quinazoline-4,7-diamine (PubChem CID 65336690) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-N-methyl-4-N-(3-methylphenyl)quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(3-methylphenyl)quinazoline-4,7-diamine
PubChem CID65336690
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name4-N-methyl-4-N-(3-methylphenyl)quinazoline-4,7-diamine
SMILESCc1cccc(N(C)c2ncnc3cc(N)ccc23)c1
InChIInChI=1S/C16H16N4/c1-11-4-3-5-13(8-11)20(2)16-14-7-6-12(17)9-15(14)18-10-19-16/h3-10H,17H2,1-2H3
InChIKeyYDDCOJLGJIBYLY-UHFFFAOYSA-N
XLogP3.29
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
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-methyl-4-N-(3-methylphenyl)quinazoline-4,7-diamine?
The IUPAC name of 4-N-methyl-4-N-(3-methylphenyl)quinazoline-4,7-diamine (CID 65336690) is 4-N-methyl-4-N-(3-methylphenyl)quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(3-methylphenyl)quinazoline-4,7-diamine?
The canonical SMILES for 4-N-methyl-4-N-(3-methylphenyl)quinazoline-4,7-diamine is Cc1cccc(N(C)c2ncnc3cc(N)ccc23)c1.
What is the InChIKey of 4-N-methyl-4-N-(3-methylphenyl)quinazoline-4,7-diamine?
The InChIKey is YDDCOJLGJIBYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-11-4-3-5-13(8-11)20(2)16-14-7-6-12(17)9-15(14)18-10-19-16/h3-10H,17H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-(3-methylphenyl)quinazoline-4,7-diamine?
4-N-methyl-4-N-(3-methylphenyl)quinazoline-4,7-diamine has a molecular weight of 264.33 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(3-methylphenyl)quinazoline-4,7-diamine is sourced from PubChem (CID 65336690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).