2,5-dichloroquinazolin-4-amine

C8H5Cl2N3 — CID 34181658

IUPAC2,5-dichloroquinazolin-4-amine
SMILESNc1nc(Cl)nc2cccc(Cl)c12
InChIInChI=1S/C8H5Cl2N3/c9-4-2-1-3-5-6(4)7(11)13-8(10)12-5/h1-3H,(H2,11,12,13)
InChIKeyKWONOEUAYOZICR-UHFFFAOYSA-N
MW214.06 g/mol
LogP2.52
Rot. Bonds

About 2,5-dichloroquinazolin-4-amine

2,5-dichloroquinazolin-4-amine (PubChem CID 34181658) has the molecular formula C8H5Cl2N3 and a molecular weight of 214.06 g/mol. Its IUPAC name is 2,5-dichloroquinazolin-4-amine.

Molecular Properties

Compound Name2,5-dichloroquinazolin-4-amine
PubChem CID34181658
Molecular FormulaC8H5Cl2N3
Molecular Weight214.06 g/mol
Exact Mass212.99
IUPAC Name2,5-dichloroquinazolin-4-amine
SMILESNc1nc(Cl)nc2cccc(Cl)c12
InChIInChI=1S/C8H5Cl2N3/c9-4-2-1-3-5-6(4)7(11)13-8(10)12-5/h1-3H,(H2,11,12,13)
InChIKeyKWONOEUAYOZICR-UHFFFAOYSA-N
XLogP2.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloroquinazolin-4-amine?
The IUPAC name of 2,5-dichloroquinazolin-4-amine (CID 34181658) is 2,5-dichloroquinazolin-4-amine.
What is the SMILES notation for 2,5-dichloroquinazolin-4-amine?
The canonical SMILES for 2,5-dichloroquinazolin-4-amine is Nc1nc(Cl)nc2cccc(Cl)c12.
What is the InChIKey of 2,5-dichloroquinazolin-4-amine?
The InChIKey is KWONOEUAYOZICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N3/c9-4-2-1-3-5-6(4)7(11)13-8(10)12-5/h1-3H,(H2,11,12,13).
What are the key properties of 2,5-dichloroquinazolin-4-amine?
2,5-dichloroquinazolin-4-amine has a molecular weight of 214.06 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloroquinazolin-4-amine is sourced from PubChem (CID 34181658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).