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

C21H16F2N4 — CID 134098551

IUPAC6-[3-fluoro-5-(4-fluorophenyl)phenyl]-5-methylquinazoline-2,4-diamine
SMILESCc1c(-c2cc(F)cc(-c3ccc(F)cc3)c2)ccc2nc(N)nc(N)c12
InChIInChI=1S/C21H16F2N4/c1-11-17(6-7-18-19(11)20(24)27-21(25)26-18)14-8-13(9-16(23)10-14)12-2-4-15(22)5-3-12/h2-10H,1H3,(H4,24,25,26,27)
InChIKeyRDRNRHUIUOXLCL-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.71
Rot. Bonds2

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

6-[3-fluoro-5-(4-fluorophenyl)phenyl]-5-methylquinazoline-2,4-diamine (PubChem CID 134098551) has the molecular formula C21H16F2N4 and a molecular weight of 362.38 g/mol. Its IUPAC name is 6-[3-fluoro-5-(4-fluorophenyl)phenyl]-5-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name6-[3-fluoro-5-(4-fluorophenyl)phenyl]-5-methylquinazoline-2,4-diamine
PubChem CID134098551
Molecular FormulaC21H16F2N4
Molecular Weight362.38 g/mol
Exact Mass362.13
IUPAC Name6-[3-fluoro-5-(4-fluorophenyl)phenyl]-5-methylquinazoline-2,4-diamine
SMILESCc1c(-c2cc(F)cc(-c3ccc(F)cc3)c2)ccc2nc(N)nc(N)c12
InChIInChI=1S/C21H16F2N4/c1-11-17(6-7-18-19(11)20(24)27-21(25)26-18)14-8-13(9-16(23)10-14)12-2-4-15(22)5-3-12/h2-10H,1H3,(H4,24,25,26,27)
InChIKeyRDRNRHUIUOXLCL-UHFFFAOYSA-N
XLogP4.71
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(4-fluorophenyl)-2-methylphenyl]-5-methylquinazoline-2,4-diamine
CID 134113376
5-methylquinazoline-2,4,6-triamine
CID 13413778
5,6-dimethylquinazoline-2,4-diamine
CID 15152355
6-(4-fluorophenyl)quinazoline-2,4-diamine
CID 24810151
6-(2-chlorophenyl)-5-methylquinazoline-2,4-diamine
CID 134112794
5-methyl-6-(3-pyridin-2-yloxyphenyl)quinazoline-2,4-diamine
CID 134112776
(2,4-diamino-5-methylquinazolin-6-yl)methanol
CID 57308602
6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-methylquinazoline-2,4-diamine
CID 56698151
5-(3,4-difluorophenyl)quinazoline-2,4-diamine
CID 175913106
8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 2754456
6-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-amine
CID 68602769
5-methyl-6-[(E)-2-phenylethenyl]quinazoline-2,4-diamine
CID 21248371

Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-5-(4-fluorophenyl)phenyl]-5-methylquinazoline-2,4-diamine?
The IUPAC name of 6-[3-fluoro-5-(4-fluorophenyl)phenyl]-5-methylquinazoline-2,4-diamine (CID 134098551) is 6-[3-fluoro-5-(4-fluorophenyl)phenyl]-5-methylquinazoline-2,4-diamine.
What is the SMILES notation for 6-[3-fluoro-5-(4-fluorophenyl)phenyl]-5-methylquinazoline-2,4-diamine?
The canonical SMILES for 6-[3-fluoro-5-(4-fluorophenyl)phenyl]-5-methylquinazoline-2,4-diamine is Cc1c(-c2cc(F)cc(-c3ccc(F)cc3)c2)ccc2nc(N)nc(N)c12.
What is the InChIKey of 6-[3-fluoro-5-(4-fluorophenyl)phenyl]-5-methylquinazoline-2,4-diamine?
The InChIKey is RDRNRHUIUOXLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4/c1-11-17(6-7-18-19(11)20(24)27-21(25)26-18)14-8-13(9-16(23)10-14)12-2-4-15(22)5-3-12/h2-10H,1H3,(H4,24,25,26,27).
What are the key properties of 6-[3-fluoro-5-(4-fluorophenyl)phenyl]-5-methylquinazoline-2,4-diamine?
6-[3-fluoro-5-(4-fluorophenyl)phenyl]-5-methylquinazoline-2,4-diamine has a molecular weight of 362.38 g/mol, XLogP of 4.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-5-(4-fluorophenyl)phenyl]-5-methylquinazoline-2,4-diamine is sourced from PubChem (CID 134098551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).