6,8-dichloro-N-methylquinazolin-4-amine

C9H7Cl2N3 — CID 60726169

IUPAC6,8-dichloro-N-methylquinazolin-4-amine
SMILESCNc1ncnc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C9H7Cl2N3/c1-12-9-6-2-5(10)3-7(11)8(6)13-4-14-9/h2-4H,1H3,(H,12,13,14)
InChIKeyKVJSCWQCJLNDTR-UHFFFAOYSA-N
MW228.08 g/mol
LogP2.98
Rot. Bonds1

About 6,8-dichloro-N-methylquinazolin-4-amine

6,8-dichloro-N-methylquinazolin-4-amine (PubChem CID 60726169) has the molecular formula C9H7Cl2N3 and a molecular weight of 228.08 g/mol. Its IUPAC name is 6,8-dichloro-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name6,8-dichloro-N-methylquinazolin-4-amine
PubChem CID60726169
Molecular FormulaC9H7Cl2N3
Molecular Weight228.08 g/mol
Exact Mass227.00
IUPAC Name6,8-dichloro-N-methylquinazolin-4-amine
SMILESCNc1ncnc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C9H7Cl2N3/c1-12-9-6-2-5(10)3-7(11)8(6)13-4-14-9/h2-4H,1H3,(H,12,13,14)
InChIKeyKVJSCWQCJLNDTR-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-methylquinazolin-4-amine?
The IUPAC name of 6,8-dichloro-N-methylquinazolin-4-amine (CID 60726169) is 6,8-dichloro-N-methylquinazolin-4-amine.
What is the SMILES notation for 6,8-dichloro-N-methylquinazolin-4-amine?
The canonical SMILES for 6,8-dichloro-N-methylquinazolin-4-amine is CNc1ncnc2c(Cl)cc(Cl)cc12.
What is the InChIKey of 6,8-dichloro-N-methylquinazolin-4-amine?
The InChIKey is KVJSCWQCJLNDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3/c1-12-9-6-2-5(10)3-7(11)8(6)13-4-14-9/h2-4H,1H3,(H,12,13,14).
What are the key properties of 6,8-dichloro-N-methylquinazolin-4-amine?
6,8-dichloro-N-methylquinazolin-4-amine has a molecular weight of 228.08 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-methylquinazolin-4-amine is sourced from PubChem (CID 60726169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).