2-N-(3,4-dimethylphenyl)quinazoline-2,4-diamine;hydrochloride

C16H17ClN4 — CID 2975866

IUPAC2-N-(3,4-dimethylphenyl)quinazoline-2,4-diamine;hydrochloride
SMILESCc1ccc(Nc2nc(N)c3ccccc3n2)cc1C.Cl
InChIInChI=1S/C16H16N4.ClH/c1-10-7-8-12(9-11(10)2)18-16-19-14-6-4-3-5-13(14)15(17)20-16;/h3-9H,1-2H3,(H3,17,18,19,20);1H
InChIKeyUEKHRWFIPHUAAM-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.99
Rot. Bonds2

About 2-N-(3,4-dimethylphenyl)quinazoline-2,4-diamine;hydrochloride

2-N-(3,4-dimethylphenyl)quinazoline-2,4-diamine;hydrochloride (PubChem CID 2975866) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-N-(3,4-dimethylphenyl)quinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-(3,4-dimethylphenyl)quinazoline-2,4-diamine;hydrochloride
PubChem CID2975866
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name2-N-(3,4-dimethylphenyl)quinazoline-2,4-diamine;hydrochloride
SMILESCc1ccc(Nc2nc(N)c3ccccc3n2)cc1C.Cl
InChIInChI=1S/C16H16N4.ClH/c1-10-7-8-12(9-11(10)2)18-16-19-14-6-4-3-5-13(14)15(17)20-16;/h3-9H,1-2H3,(H3,17,18,19,20);1H
InChIKeyUEKHRWFIPHUAAM-UHFFFAOYSA-N
XLogP3.99
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethylphenyl)quinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 2-N-(3,4-dimethylphenyl)quinazoline-2,4-diamine;hydrochloride (CID 2975866) is 2-N-(3,4-dimethylphenyl)quinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N-(3,4-dimethylphenyl)quinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N-(3,4-dimethylphenyl)quinazoline-2,4-diamine;hydrochloride is Cc1ccc(Nc2nc(N)c3ccccc3n2)cc1C.Cl.
What is the InChIKey of 2-N-(3,4-dimethylphenyl)quinazoline-2,4-diamine;hydrochloride?
The InChIKey is UEKHRWFIPHUAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4.ClH/c1-10-7-8-12(9-11(10)2)18-16-19-14-6-4-3-5-13(14)15(17)20-16;/h3-9H,1-2H3,(H3,17,18,19,20);1H.
What are the key properties of 2-N-(3,4-dimethylphenyl)quinazoline-2,4-diamine;hydrochloride?
2-N-(3,4-dimethylphenyl)quinazoline-2,4-diamine;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethylphenyl)quinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 2975866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).