2,7-dichloro-N-ethyl-N,8-dimethylquinazolin-4-amine

C12H13Cl2N3 — CID 114693444

IUPAC2,7-dichloro-N-ethyl-N,8-dimethylquinazolin-4-amine
SMILESCCN(C)c1nc(Cl)nc2c(C)c(Cl)ccc12
InChIInChI=1S/C12H13Cl2N3/c1-4-17(3)11-8-5-6-9(13)7(2)10(8)15-12(14)16-11/h5-6H,4H2,1-3H3
InChIKeyYPVKJUYNACDERM-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.70
Rot. Bonds2

About 2,7-dichloro-N-ethyl-N,8-dimethylquinazolin-4-amine

2,7-dichloro-N-ethyl-N,8-dimethylquinazolin-4-amine (PubChem CID 114693444) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 2,7-dichloro-N-ethyl-N,8-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name2,7-dichloro-N-ethyl-N,8-dimethylquinazolin-4-amine
PubChem CID114693444
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name2,7-dichloro-N-ethyl-N,8-dimethylquinazolin-4-amine
SMILESCCN(C)c1nc(Cl)nc2c(C)c(Cl)ccc12
InChIInChI=1S/C12H13Cl2N3/c1-4-17(3)11-8-5-6-9(13)7(2)10(8)15-12(14)16-11/h5-6H,4H2,1-3H3
InChIKeyYPVKJUYNACDERM-UHFFFAOYSA-N
XLogP3.70
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-N-ethyl-N,8-dimethylquinazolin-4-amine?
The IUPAC name of 2,7-dichloro-N-ethyl-N,8-dimethylquinazolin-4-amine (CID 114693444) is 2,7-dichloro-N-ethyl-N,8-dimethylquinazolin-4-amine.
What is the SMILES notation for 2,7-dichloro-N-ethyl-N,8-dimethylquinazolin-4-amine?
The canonical SMILES for 2,7-dichloro-N-ethyl-N,8-dimethylquinazolin-4-amine is CCN(C)c1nc(Cl)nc2c(C)c(Cl)ccc12.
What is the InChIKey of 2,7-dichloro-N-ethyl-N,8-dimethylquinazolin-4-amine?
The InChIKey is YPVKJUYNACDERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-4-17(3)11-8-5-6-9(13)7(2)10(8)15-12(14)16-11/h5-6H,4H2,1-3H3.
What are the key properties of 2,7-dichloro-N-ethyl-N,8-dimethylquinazolin-4-amine?
2,7-dichloro-N-ethyl-N,8-dimethylquinazolin-4-amine has a molecular weight of 270.16 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-N-ethyl-N,8-dimethylquinazolin-4-amine is sourced from PubChem (CID 114693444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).