4-N-(3-bromophenyl)-6-(6-fluoro-3-pyridinyl)quinazoline-2,4-diamine

C19H13BrFN5 — CID 69014089

IUPAC4-N-(3-bromophenyl)-6-(6-fluoro-3-pyridinyl)quinazoline-2,4-diamine
SMILESNc1nc(Nc2cccc(Br)c2)c2cc(-c3ccc(F)nc3)ccc2n1
InChIInChI=1S/C19H13BrFN5/c20-13-2-1-3-14(9-13)24-18-15-8-11(12-5-7-17(21)23-10-12)4-6-16(15)25-19(22)26-18/h1-10H,(H3,22,24,25,26)
InChIKeyDTMANIANAIMHPR-UHFFFAOYSA-N
MW410.25 g/mol
LogP4.92
Rot. Bonds3

About 4-N-(3-bromophenyl)-6-(6-fluoro-3-pyridinyl)quinazoline-2,4-diamine

4-N-(3-bromophenyl)-6-(6-fluoro-3-pyridinyl)quinazoline-2,4-diamine (PubChem CID 69014089) has the molecular formula C19H13BrFN5 and a molecular weight of 410.25 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-6-(6-fluoro-3-pyridinyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-6-(6-fluoro-3-pyridinyl)quinazoline-2,4-diamine
PubChem CID69014089
Molecular FormulaC19H13BrFN5
Molecular Weight410.25 g/mol
Exact Mass409.03
IUPAC Name4-N-(3-bromophenyl)-6-(6-fluoro-3-pyridinyl)quinazoline-2,4-diamine
SMILESNc1nc(Nc2cccc(Br)c2)c2cc(-c3ccc(F)nc3)ccc2n1
InChIInChI=1S/C19H13BrFN5/c20-13-2-1-3-14(9-13)24-18-15-8-11(12-5-7-17(21)23-10-12)4-6-16(15)25-19(22)26-18/h1-10H,(H3,22,24,25,26)
InChIKeyDTMANIANAIMHPR-UHFFFAOYSA-N
XLogP4.92
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.25
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-6-(6-fluoro-3-pyridinyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(3-bromophenyl)-6-(6-fluoro-3-pyridinyl)quinazoline-2,4-diamine (CID 69014089) is 4-N-(3-bromophenyl)-6-(6-fluoro-3-pyridinyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-6-(6-fluoro-3-pyridinyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)-6-(6-fluoro-3-pyridinyl)quinazoline-2,4-diamine is Nc1nc(Nc2cccc(Br)c2)c2cc(-c3ccc(F)nc3)ccc2n1.
What is the InChIKey of 4-N-(3-bromophenyl)-6-(6-fluoro-3-pyridinyl)quinazoline-2,4-diamine?
The InChIKey is DTMANIANAIMHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFN5/c20-13-2-1-3-14(9-13)24-18-15-8-11(12-5-7-17(21)23-10-12)4-6-16(15)25-19(22)26-18/h1-10H,(H3,22,24,25,26).
What are the key properties of 4-N-(3-bromophenyl)-6-(6-fluoro-3-pyridinyl)quinazoline-2,4-diamine?
4-N-(3-bromophenyl)-6-(6-fluoro-3-pyridinyl)quinazoline-2,4-diamine has a molecular weight of 410.25 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-6-(6-fluoro-3-pyridinyl)quinazoline-2,4-diamine is sourced from PubChem (CID 69014089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).