2,5,8-trichloro-N,N-dimethylquinazolin-4-amine

C10H8Cl3N3 — CID 107051785

IUPAC2,5,8-trichloro-N,N-dimethylquinazolin-4-amine
SMILESCN(C)c1nc(Cl)nc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C10H8Cl3N3/c1-16(2)9-7-5(11)3-4-6(12)8(7)14-10(13)15-9/h3-4H,1-2H3
InChIKeyBDVOMUBSTYMFFE-UHFFFAOYSA-N
MW276.55 g/mol
LogP3.66
Rot. Bonds1

About 2,5,8-trichloro-N,N-dimethylquinazolin-4-amine

2,5,8-trichloro-N,N-dimethylquinazolin-4-amine (PubChem CID 107051785) has the molecular formula C10H8Cl3N3 and a molecular weight of 276.55 g/mol. Its IUPAC name is 2,5,8-trichloro-N,N-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name2,5,8-trichloro-N,N-dimethylquinazolin-4-amine
PubChem CID107051785
Molecular FormulaC10H8Cl3N3
Molecular Weight276.55 g/mol
Exact Mass274.98
IUPAC Name2,5,8-trichloro-N,N-dimethylquinazolin-4-amine
SMILESCN(C)c1nc(Cl)nc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C10H8Cl3N3/c1-16(2)9-7-5(11)3-4-6(12)8(7)14-10(13)15-9/h3-4H,1-2H3
InChIKeyBDVOMUBSTYMFFE-UHFFFAOYSA-N
XLogP3.66
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.55
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,8-trichloro-N,N-dimethylquinazolin-4-amine?
The IUPAC name of 2,5,8-trichloro-N,N-dimethylquinazolin-4-amine (CID 107051785) is 2,5,8-trichloro-N,N-dimethylquinazolin-4-amine.
What is the SMILES notation for 2,5,8-trichloro-N,N-dimethylquinazolin-4-amine?
The canonical SMILES for 2,5,8-trichloro-N,N-dimethylquinazolin-4-amine is CN(C)c1nc(Cl)nc2c(Cl)ccc(Cl)c12.
What is the InChIKey of 2,5,8-trichloro-N,N-dimethylquinazolin-4-amine?
The InChIKey is BDVOMUBSTYMFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3N3/c1-16(2)9-7-5(11)3-4-6(12)8(7)14-10(13)15-9/h3-4H,1-2H3.
What are the key properties of 2,5,8-trichloro-N,N-dimethylquinazolin-4-amine?
2,5,8-trichloro-N,N-dimethylquinazolin-4-amine has a molecular weight of 276.55 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,8-trichloro-N,N-dimethylquinazolin-4-amine is sourced from PubChem (CID 107051785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).