2,5,8-trichloro-N-ethyl-N-methylquinazolin-4-amine

C11H10Cl3N3 — CID 107051784

IUPAC2,5,8-trichloro-N-ethyl-N-methylquinazolin-4-amine
SMILESCCN(C)c1nc(Cl)nc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C11H10Cl3N3/c1-3-17(2)10-8-6(12)4-5-7(13)9(8)15-11(14)16-10/h4-5H,3H2,1-2H3
InChIKeyWVAVFXWGCBMCCB-UHFFFAOYSA-N
MW290.58 g/mol
LogP4.05
Rot. Bonds2

About 2,5,8-trichloro-N-ethyl-N-methylquinazolin-4-amine

2,5,8-trichloro-N-ethyl-N-methylquinazolin-4-amine (PubChem CID 107051784) has the molecular formula C11H10Cl3N3 and a molecular weight of 290.58 g/mol. Its IUPAC name is 2,5,8-trichloro-N-ethyl-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2,5,8-trichloro-N-ethyl-N-methylquinazolin-4-amine
PubChem CID107051784
Molecular FormulaC11H10Cl3N3
Molecular Weight290.58 g/mol
Exact Mass288.99
IUPAC Name2,5,8-trichloro-N-ethyl-N-methylquinazolin-4-amine
SMILESCCN(C)c1nc(Cl)nc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C11H10Cl3N3/c1-3-17(2)10-8-6(12)4-5-7(13)9(8)15-11(14)16-10/h4-5H,3H2,1-2H3
InChIKeyWVAVFXWGCBMCCB-UHFFFAOYSA-N
XLogP4.05
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.58
LogP ≤ 54.05
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-ethyl-N-methylquinazolin-4-amine?
The IUPAC name of 2,5,8-trichloro-N-ethyl-N-methylquinazolin-4-amine (CID 107051784) is 2,5,8-trichloro-N-ethyl-N-methylquinazolin-4-amine.
What is the SMILES notation for 2,5,8-trichloro-N-ethyl-N-methylquinazolin-4-amine?
The canonical SMILES for 2,5,8-trichloro-N-ethyl-N-methylquinazolin-4-amine is CCN(C)c1nc(Cl)nc2c(Cl)ccc(Cl)c12.
What is the InChIKey of 2,5,8-trichloro-N-ethyl-N-methylquinazolin-4-amine?
The InChIKey is WVAVFXWGCBMCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3N3/c1-3-17(2)10-8-6(12)4-5-7(13)9(8)15-11(14)16-10/h4-5H,3H2,1-2H3.
What are the key properties of 2,5,8-trichloro-N-ethyl-N-methylquinazolin-4-amine?
2,5,8-trichloro-N-ethyl-N-methylquinazolin-4-amine has a molecular weight of 290.58 g/mol, XLogP of 4.05, 2 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-ethyl-N-methylquinazolin-4-amine is sourced from PubChem (CID 107051784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).