7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine

C17H17BrN4O — CID 53346509

IUPAC7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine
SMILESCCOc1ccc(Br)cc1-c1cc2nc(N)nc(N)c2cc1C
InChIInChI=1S/C17H17BrN4O/c1-3-23-15-5-4-10(18)7-12(15)11-8-14-13(6-9(11)2)16(19)22-17(20)21-14/h4-8H,3H2,1-2H3,(H4,19,20,21,22)
InChIKeyYCEDXTDKSNASDG-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.93
Rot. Bonds3

About 7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine

7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine (PubChem CID 53346509) has the molecular formula C17H17BrN4O and a molecular weight of 373.25 g/mol. Its IUPAC name is 7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine
PubChem CID53346509
Molecular FormulaC17H17BrN4O
Molecular Weight373.25 g/mol
Exact Mass372.06
IUPAC Name7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine
SMILESCCOc1ccc(Br)cc1-c1cc2nc(N)nc(N)c2cc1C
InChIInChI=1S/C17H17BrN4O/c1-3-23-15-5-4-10(18)7-12(15)11-8-14-13(6-9(11)2)16(19)22-17(20)21-14/h4-8H,3H2,1-2H3,(H4,19,20,21,22)
InChIKeyYCEDXTDKSNASDG-UHFFFAOYSA-N
XLogP3.93
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine?
The IUPAC name of 7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine (CID 53346509) is 7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine.
What is the SMILES notation for 7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine?
The canonical SMILES for 7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine is CCOc1ccc(Br)cc1-c1cc2nc(N)nc(N)c2cc1C.
What is the InChIKey of 7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine?
The InChIKey is YCEDXTDKSNASDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O/c1-3-23-15-5-4-10(18)7-12(15)11-8-14-13(6-9(11)2)16(19)22-17(20)21-14/h4-8H,3H2,1-2H3,(H4,19,20,21,22).
What are the key properties of 7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine?
7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine has a molecular weight of 373.25 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine is sourced from PubChem (CID 53346509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).