5-[(2-fluorophenyl)methoxy]quinazoline-2,4-diamine

C15H13FN4O — CID 24778025

IUPAC5-[(2-fluorophenyl)methoxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OCc3ccccc3F)cccc2n1
InChIInChI=1S/C15H13FN4O/c16-10-5-2-1-4-9(10)8-21-12-7-3-6-11-13(12)14(17)20-15(18)19-11/h1-7H,8H2,(H4,17,18,19,20)
InChIKeySFJOSBAEWKPKPY-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.51
Rot. Bonds3

About 5-[(2-fluorophenyl)methoxy]quinazoline-2,4-diamine

5-[(2-fluorophenyl)methoxy]quinazoline-2,4-diamine (PubChem CID 24778025) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methoxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methoxy]quinazoline-2,4-diamine
PubChem CID24778025
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name5-[(2-fluorophenyl)methoxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OCc3ccccc3F)cccc2n1
InChIInChI=1S/C15H13FN4O/c16-10-5-2-1-4-9(10)8-21-12-7-3-6-11-13(12)14(17)20-15(18)19-11/h1-7H,8H2,(H4,17,18,19,20)
InChIKeySFJOSBAEWKPKPY-UHFFFAOYSA-N
XLogP2.51
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenylmethoxyquinazoline-2,4-diamine
CID 11536300
5-(2-methoxyethoxy)quinazoline-2,4-diamine
CID 11637233
5-[(3,4-dimethoxyphenyl)methoxy]quinazoline-2,4-diamine
CID 66924159
5-[3-(4-chlorophenyl)propoxy]quinazoline-2,4-diamine
CID 11558965
5-phenoxyquinazoline-2,4-diamine
CID 4308266
5-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 67301832
5-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 25002763
3-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62464415
3-[(2,6-difluorophenoxy)methyl]quinolin-2-amine
CID 81265271
1-[2-fluoro-6-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63935120
1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene
CID 174920306
2-chloro-4-[(2-fluorophenyl)methoxy]quinoline
CID 42597518

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methoxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[(2-fluorophenyl)methoxy]quinazoline-2,4-diamine (CID 24778025) is 5-[(2-fluorophenyl)methoxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[(2-fluorophenyl)methoxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[(2-fluorophenyl)methoxy]quinazoline-2,4-diamine is Nc1nc(N)c2c(OCc3ccccc3F)cccc2n1.
What is the InChIKey of 5-[(2-fluorophenyl)methoxy]quinazoline-2,4-diamine?
The InChIKey is SFJOSBAEWKPKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c16-10-5-2-1-4-9(10)8-21-12-7-3-6-11-13(12)14(17)20-15(18)19-11/h1-7H,8H2,(H4,17,18,19,20).
What are the key properties of 5-[(2-fluorophenyl)methoxy]quinazoline-2,4-diamine?
5-[(2-fluorophenyl)methoxy]quinazoline-2,4-diamine has a molecular weight of 284.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 24778025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).