6-(3,5-dichlorophenyl)-8-methylquinazoline-2,4-diamine

C15H12Cl2N4 — CID 67760738

IUPAC6-(3,5-dichlorophenyl)-8-methylquinazoline-2,4-diamine
SMILESCc1cc(-c2cc(Cl)cc(Cl)c2)cc2c(N)nc(N)nc12
InChIInChI=1S/C15H12Cl2N4/c1-7-2-8(9-3-10(16)6-11(17)4-9)5-12-13(7)20-15(19)21-14(12)18/h2-6H,1H3,(H4,18,19,20,21)
InChIKeyAPXBTVIWJZRZHT-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.08
Rot. Bonds1

About 6-(3,5-dichlorophenyl)-8-methylquinazoline-2,4-diamine

6-(3,5-dichlorophenyl)-8-methylquinazoline-2,4-diamine (PubChem CID 67760738) has the molecular formula C15H12Cl2N4 and a molecular weight of 319.20 g/mol. Its IUPAC name is 6-(3,5-dichlorophenyl)-8-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name6-(3,5-dichlorophenyl)-8-methylquinazoline-2,4-diamine
PubChem CID67760738
Molecular FormulaC15H12Cl2N4
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name6-(3,5-dichlorophenyl)-8-methylquinazoline-2,4-diamine
SMILESCc1cc(-c2cc(Cl)cc(Cl)c2)cc2c(N)nc(N)nc12
InChIInChI=1S/C15H12Cl2N4/c1-7-2-8(9-3-10(16)6-11(17)4-9)5-12-13(7)20-15(19)21-14(12)18/h2-6H,1H3,(H4,18,19,20,21)
InChIKeyAPXBTVIWJZRZHT-UHFFFAOYSA-N
XLogP4.08
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenyl)-8-methylquinazoline-2,4-diamine?
The IUPAC name of 6-(3,5-dichlorophenyl)-8-methylquinazoline-2,4-diamine (CID 67760738) is 6-(3,5-dichlorophenyl)-8-methylquinazoline-2,4-diamine.
What is the SMILES notation for 6-(3,5-dichlorophenyl)-8-methylquinazoline-2,4-diamine?
The canonical SMILES for 6-(3,5-dichlorophenyl)-8-methylquinazoline-2,4-diamine is Cc1cc(-c2cc(Cl)cc(Cl)c2)cc2c(N)nc(N)nc12.
What is the InChIKey of 6-(3,5-dichlorophenyl)-8-methylquinazoline-2,4-diamine?
The InChIKey is APXBTVIWJZRZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4/c1-7-2-8(9-3-10(16)6-11(17)4-9)5-12-13(7)20-15(19)21-14(12)18/h2-6H,1H3,(H4,18,19,20,21).
What are the key properties of 6-(3,5-dichlorophenyl)-8-methylquinazoline-2,4-diamine?
6-(3,5-dichlorophenyl)-8-methylquinazoline-2,4-diamine has a molecular weight of 319.20 g/mol, XLogP of 4.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichlorophenyl)-8-methylquinazoline-2,4-diamine is sourced from PubChem (CID 67760738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).