6-[3-(4-fluorophenyl)-2-methylphenyl]-5-methylquinazoline-2,4-diamine

C22H19FN4 — CID 134113376

IUPAC6-[3-(4-fluorophenyl)-2-methylphenyl]-5-methylquinazoline-2,4-diamine
SMILESCc1c(-c2ccc(F)cc2)cccc1-c1ccc2nc(N)nc(N)c2c1C
InChIInChI=1S/C22H19FN4/c1-12-16(14-6-8-15(23)9-7-14)4-3-5-17(12)18-10-11-19-20(13(18)2)21(24)27-22(25)26-19/h3-11H,1-2H3,(H4,24,25,26,27)
InChIKeySPYUUCLHRVGOHE-UHFFFAOYSA-N
MW358.42 g/mol
LogP4.88
Rot. Bonds2

About 6-[3-(4-fluorophenyl)-2-methylphenyl]-5-methylquinazoline-2,4-diamine

6-[3-(4-fluorophenyl)-2-methylphenyl]-5-methylquinazoline-2,4-diamine (PubChem CID 134113376) has the molecular formula C22H19FN4 and a molecular weight of 358.42 g/mol. Its IUPAC name is 6-[3-(4-fluorophenyl)-2-methylphenyl]-5-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name6-[3-(4-fluorophenyl)-2-methylphenyl]-5-methylquinazoline-2,4-diamine
PubChem CID134113376
Molecular FormulaC22H19FN4
Molecular Weight358.42 g/mol
Exact Mass358.16
IUPAC Name6-[3-(4-fluorophenyl)-2-methylphenyl]-5-methylquinazoline-2,4-diamine
SMILESCc1c(-c2ccc(F)cc2)cccc1-c1ccc2nc(N)nc(N)c2c1C
InChIInChI=1S/C22H19FN4/c1-12-16(14-6-8-15(23)9-7-14)4-3-5-17(12)18-10-11-19-20(13(18)2)21(24)27-22(25)26-19/h3-11H,1-2H3,(H4,24,25,26,27)
InChIKeySPYUUCLHRVGOHE-UHFFFAOYSA-N
XLogP4.88
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-fluoro-5-(4-fluorophenyl)phenyl]-5-methylquinazoline-2,4-diamine
CID 134098551
6-(2-chlorophenyl)-5-methylquinazoline-2,4-diamine
CID 134112794
1,3-bis(4-fluorophenyl)-2-methylbenzene
CID 58586629
6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-methylquinazoline-2,4-diamine
CID 56698151
5-methylquinazoline-2,4,6-triamine
CID 13413778
5,6-dimethylquinazoline-2,4-diamine
CID 15152355
5-methyl-6-(3-pyridin-2-yloxyphenyl)quinazoline-2,4-diamine
CID 134112776
5-(3,4-difluorophenyl)quinazoline-2,4-diamine
CID 175913106
(2,4-diamino-5-methylquinazolin-6-yl)methanol
CID 57308602
1-fluoro-3-(4-fluorophenyl)-2-methylbenzene
CID 46313945
5-methyl-6-[(E)-2-phenylethenyl]quinazoline-2,4-diamine
CID 21248371
6-(4-fluorophenyl)quinazoline-2,4-diamine
CID 24810151

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-fluorophenyl)-2-methylphenyl]-5-methylquinazoline-2,4-diamine?
The IUPAC name of 6-[3-(4-fluorophenyl)-2-methylphenyl]-5-methylquinazoline-2,4-diamine (CID 134113376) is 6-[3-(4-fluorophenyl)-2-methylphenyl]-5-methylquinazoline-2,4-diamine.
What is the SMILES notation for 6-[3-(4-fluorophenyl)-2-methylphenyl]-5-methylquinazoline-2,4-diamine?
The canonical SMILES for 6-[3-(4-fluorophenyl)-2-methylphenyl]-5-methylquinazoline-2,4-diamine is Cc1c(-c2ccc(F)cc2)cccc1-c1ccc2nc(N)nc(N)c2c1C.
What is the InChIKey of 6-[3-(4-fluorophenyl)-2-methylphenyl]-5-methylquinazoline-2,4-diamine?
The InChIKey is SPYUUCLHRVGOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4/c1-12-16(14-6-8-15(23)9-7-14)4-3-5-17(12)18-10-11-19-20(13(18)2)21(24)27-22(25)26-19/h3-11H,1-2H3,(H4,24,25,26,27).
What are the key properties of 6-[3-(4-fluorophenyl)-2-methylphenyl]-5-methylquinazoline-2,4-diamine?
6-[3-(4-fluorophenyl)-2-methylphenyl]-5-methylquinazoline-2,4-diamine has a molecular weight of 358.42 g/mol, XLogP of 4.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-fluorophenyl)-2-methylphenyl]-5-methylquinazoline-2,4-diamine is sourced from PubChem (CID 134113376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).