7-(4-fluoro-2-methylphenyl)-4-N-methylquinazoline-2,4-diamine

C16H15FN4 — CID 11522011

IUPAC7-(4-fluoro-2-methylphenyl)-4-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(N)nc2cc(-c3ccc(F)cc3C)ccc12
InChIInChI=1S/C16H15FN4/c1-9-7-11(17)4-6-12(9)10-3-5-13-14(8-10)20-16(18)21-15(13)19-2/h3-8H,1-2H3,(H3,18,19,20,21)
InChIKeyGBQMLDMLMRWTIM-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.37
Rot. Bonds2

About 7-(4-fluoro-2-methylphenyl)-4-N-methylquinazoline-2,4-diamine

7-(4-fluoro-2-methylphenyl)-4-N-methylquinazoline-2,4-diamine (PubChem CID 11522011) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 7-(4-fluoro-2-methylphenyl)-4-N-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(4-fluoro-2-methylphenyl)-4-N-methylquinazoline-2,4-diamine
PubChem CID11522011
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name7-(4-fluoro-2-methylphenyl)-4-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(N)nc2cc(-c3ccc(F)cc3C)ccc12
InChIInChI=1S/C16H15FN4/c1-9-7-11(17)4-6-12(9)10-3-5-13-14(8-10)20-16(18)21-15(13)19-2/h3-8H,1-2H3,(H3,18,19,20,21)
InChIKeyGBQMLDMLMRWTIM-UHFFFAOYSA-N
XLogP3.37
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoro-2-methylphenyl)-4-N-methylquinazoline-2,4-diamine?
The IUPAC name of 7-(4-fluoro-2-methylphenyl)-4-N-methylquinazoline-2,4-diamine (CID 11522011) is 7-(4-fluoro-2-methylphenyl)-4-N-methylquinazoline-2,4-diamine.
What is the SMILES notation for 7-(4-fluoro-2-methylphenyl)-4-N-methylquinazoline-2,4-diamine?
The canonical SMILES for 7-(4-fluoro-2-methylphenyl)-4-N-methylquinazoline-2,4-diamine is CNc1nc(N)nc2cc(-c3ccc(F)cc3C)ccc12.
What is the InChIKey of 7-(4-fluoro-2-methylphenyl)-4-N-methylquinazoline-2,4-diamine?
The InChIKey is GBQMLDMLMRWTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c1-9-7-11(17)4-6-12(9)10-3-5-13-14(8-10)20-16(18)21-15(13)19-2/h3-8H,1-2H3,(H3,18,19,20,21).
What are the key properties of 7-(4-fluoro-2-methylphenyl)-4-N-methylquinazoline-2,4-diamine?
7-(4-fluoro-2-methylphenyl)-4-N-methylquinazoline-2,4-diamine has a molecular weight of 282.32 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluoro-2-methylphenyl)-4-N-methylquinazoline-2,4-diamine is sourced from PubChem (CID 11522011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).