4-N-(3-methylphenyl)quinazoline-4,6-diamine

C15H14N4 — CID 10220590

IUPAC4-N-(3-methylphenyl)quinazoline-4,6-diamine
SMILESCc1cccc(Nc2ncnc3ccc(N)cc23)c1
InChIInChI=1S/C15H14N4/c1-10-3-2-4-12(7-10)19-15-13-8-11(16)5-6-14(13)17-9-18-15/h2-9H,16H2,1H3,(H,17,18,19)
InChIKeyNFBCSWGEYDCCDW-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.26
Rot. Bonds2

About 4-N-(3-methylphenyl)quinazoline-4,6-diamine

4-N-(3-methylphenyl)quinazoline-4,6-diamine (PubChem CID 10220590) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-N-(3-methylphenyl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methylphenyl)quinazoline-4,6-diamine
PubChem CID10220590
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name4-N-(3-methylphenyl)quinazoline-4,6-diamine
SMILESCc1cccc(Nc2ncnc3ccc(N)cc23)c1
InChIInChI=1S/C15H14N4/c1-10-3-2-4-12(7-10)19-15-13-8-11(16)5-6-14(13)17-9-18-15/h2-9H,16H2,1H3,(H,17,18,19)
InChIKeyNFBCSWGEYDCCDW-UHFFFAOYSA-N
XLogP3.26
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.26
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-(3-methylphenyl)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(3-methylphenyl)quinazoline-4,6-diamine (CID 10220590) is 4-N-(3-methylphenyl)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(3-methylphenyl)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(3-methylphenyl)quinazoline-4,6-diamine is Cc1cccc(Nc2ncnc3ccc(N)cc23)c1.
What is the InChIKey of 4-N-(3-methylphenyl)quinazoline-4,6-diamine?
The InChIKey is NFBCSWGEYDCCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-10-3-2-4-12(7-10)19-15-13-8-11(16)5-6-14(13)17-9-18-15/h2-9H,16H2,1H3,(H,17,18,19).
What are the key properties of 4-N-(3-methylphenyl)quinazoline-4,6-diamine?
4-N-(3-methylphenyl)quinazoline-4,6-diamine has a molecular weight of 250.31 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylphenyl)quinazoline-4,6-diamine is sourced from PubChem (CID 10220590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).