4-N-(4-fluoro-2-methylphenyl)-2-N-methylquinazoline-2,4-diamine

C16H15FN4 — CID 80750488

IUPAC4-N-(4-fluoro-2-methylphenyl)-2-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(Nc2ccc(F)cc2C)c2ccccc2n1
InChIInChI=1S/C16H15FN4/c1-10-9-11(17)7-8-13(10)19-15-12-5-3-4-6-14(12)20-16(18-2)21-15/h3-9H,1-2H3,(H2,18,19,20,21)
InChIKeyLINGJGPIHTUDKI-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.86
Rot. Bonds3

About 4-N-(4-fluoro-2-methylphenyl)-2-N-methylquinazoline-2,4-diamine

4-N-(4-fluoro-2-methylphenyl)-2-N-methylquinazoline-2,4-diamine (PubChem CID 80750488) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-N-(4-fluoro-2-methylphenyl)-2-N-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-fluoro-2-methylphenyl)-2-N-methylquinazoline-2,4-diamine
PubChem CID80750488
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name4-N-(4-fluoro-2-methylphenyl)-2-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(Nc2ccc(F)cc2C)c2ccccc2n1
InChIInChI=1S/C16H15FN4/c1-10-9-11(17)7-8-13(10)19-15-12-5-3-4-6-14(12)20-16(18-2)21-15/h3-9H,1-2H3,(H2,18,19,20,21)
InChIKeyLINGJGPIHTUDKI-UHFFFAOYSA-N
XLogP3.86
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluoro-2-methylphenyl)-2-N-methylquinazoline-2,4-diamine?
The IUPAC name of 4-N-(4-fluoro-2-methylphenyl)-2-N-methylquinazoline-2,4-diamine (CID 80750488) is 4-N-(4-fluoro-2-methylphenyl)-2-N-methylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(4-fluoro-2-methylphenyl)-2-N-methylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(4-fluoro-2-methylphenyl)-2-N-methylquinazoline-2,4-diamine is CNc1nc(Nc2ccc(F)cc2C)c2ccccc2n1.
What is the InChIKey of 4-N-(4-fluoro-2-methylphenyl)-2-N-methylquinazoline-2,4-diamine?
The InChIKey is LINGJGPIHTUDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c1-10-9-11(17)7-8-13(10)19-15-12-5-3-4-6-14(12)20-16(18-2)21-15/h3-9H,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-(4-fluoro-2-methylphenyl)-2-N-methylquinazoline-2,4-diamine?
4-N-(4-fluoro-2-methylphenyl)-2-N-methylquinazoline-2,4-diamine has a molecular weight of 282.32 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluoro-2-methylphenyl)-2-N-methylquinazoline-2,4-diamine is sourced from PubChem (CID 80750488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).