4-N-[1-(4-bromophenyl)ethyl]quinazoline-2,4-diamine

C16H15BrN4 — CID 80784422

IUPAC4-N-[1-(4-bromophenyl)ethyl]quinazoline-2,4-diamine
SMILESCC(Nc1nc(N)nc2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN4/c1-10(11-6-8-12(17)9-7-11)19-15-13-4-2-3-5-14(13)20-16(18)21-15/h2-10H,1H3,(H3,18,19,20,21)
InChIKeyOMHHCULVJYXAOT-UHFFFAOYSA-N
MW343.23 g/mol
LogP4.15
Rot. Bonds3

About 4-N-[1-(4-bromophenyl)ethyl]quinazoline-2,4-diamine

4-N-[1-(4-bromophenyl)ethyl]quinazoline-2,4-diamine (PubChem CID 80784422) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is 4-N-[1-(4-bromophenyl)ethyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(4-bromophenyl)ethyl]quinazoline-2,4-diamine
PubChem CID80784422
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC Name4-N-[1-(4-bromophenyl)ethyl]quinazoline-2,4-diamine
SMILESCC(Nc1nc(N)nc2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN4/c1-10(11-6-8-12(17)9-7-11)19-15-13-4-2-3-5-14(13)20-16(18)21-15/h2-10H,1H3,(H3,18,19,20,21)
InChIKeyOMHHCULVJYXAOT-UHFFFAOYSA-N
XLogP4.15
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(4-bromophenyl)ethyl]quinazoline-2,4-diamine?
The IUPAC name of 4-N-[1-(4-bromophenyl)ethyl]quinazoline-2,4-diamine (CID 80784422) is 4-N-[1-(4-bromophenyl)ethyl]quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[1-(4-bromophenyl)ethyl]quinazoline-2,4-diamine?
The canonical SMILES for 4-N-[1-(4-bromophenyl)ethyl]quinazoline-2,4-diamine is CC(Nc1nc(N)nc2ccccc12)c1ccc(Br)cc1.
What is the InChIKey of 4-N-[1-(4-bromophenyl)ethyl]quinazoline-2,4-diamine?
The InChIKey is OMHHCULVJYXAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4/c1-10(11-6-8-12(17)9-7-11)19-15-13-4-2-3-5-14(13)20-16(18)21-15/h2-10H,1H3,(H3,18,19,20,21).
What are the key properties of 4-N-[1-(4-bromophenyl)ethyl]quinazoline-2,4-diamine?
4-N-[1-(4-bromophenyl)ethyl]quinazoline-2,4-diamine has a molecular weight of 343.23 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(4-bromophenyl)ethyl]quinazoline-2,4-diamine is sourced from PubChem (CID 80784422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).