5-[(2-fluorophenoxy)methyl]quinazoline-2,4-diamine

C15H13FN4O — CID 24777136

IUPAC5-[(2-fluorophenoxy)methyl]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(COc3ccccc3F)cccc2n1
InChIInChI=1S/C15H13FN4O/c16-10-5-1-2-7-12(10)21-8-9-4-3-6-11-13(9)14(17)20-15(18)19-11/h1-7H,8H2,(H4,17,18,19,20)
InChIKeyHTKCHSHRTXOEIP-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.51
Rot. Bonds3

About 5-[(2-fluorophenoxy)methyl]quinazoline-2,4-diamine

5-[(2-fluorophenoxy)methyl]quinazoline-2,4-diamine (PubChem CID 24777136) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-[(2-fluorophenoxy)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[(2-fluorophenoxy)methyl]quinazoline-2,4-diamine
PubChem CID24777136
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name5-[(2-fluorophenoxy)methyl]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(COc3ccccc3F)cccc2n1
InChIInChI=1S/C15H13FN4O/c16-10-5-1-2-7-12(10)21-8-9-4-3-6-11-13(9)14(17)20-15(18)19-11/h1-7H,8H2,(H4,17,18,19,20)
InChIKeyHTKCHSHRTXOEIP-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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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenoxy)methyl]quinazoline-2,4-diamine?
The IUPAC name of 5-[(2-fluorophenoxy)methyl]quinazoline-2,4-diamine (CID 24777136) is 5-[(2-fluorophenoxy)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[(2-fluorophenoxy)methyl]quinazoline-2,4-diamine?
The canonical SMILES for 5-[(2-fluorophenoxy)methyl]quinazoline-2,4-diamine is Nc1nc(N)c2c(COc3ccccc3F)cccc2n1.
What is the InChIKey of 5-[(2-fluorophenoxy)methyl]quinazoline-2,4-diamine?
The InChIKey is HTKCHSHRTXOEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c16-10-5-1-2-7-12(10)21-8-9-4-3-6-11-13(9)14(17)20-15(18)19-11/h1-7H,8H2,(H4,17,18,19,20).
What are the key properties of 5-[(2-fluorophenoxy)methyl]quinazoline-2,4-diamine?
5-[(2-fluorophenoxy)methyl]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-fluorophenoxy)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 24777136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).