2-(2,5-dimethylphenyl)-6-methylquinazolin-4-amine

C17H17N3 — CID 64983731

IUPAC2-(2,5-dimethylphenyl)-6-methylquinazolin-4-amine
SMILESCc1ccc(C)c(-c2nc(N)c3cc(C)ccc3n2)c1
InChIInChI=1S/C17H17N3/c1-10-4-6-12(3)13(8-10)17-19-15-7-5-11(2)9-14(15)16(18)20-17/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyRTPUQJGVRDNXKJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.80
Rot. Bonds1

About 2-(2,5-dimethylphenyl)-6-methylquinazolin-4-amine

2-(2,5-dimethylphenyl)-6-methylquinazolin-4-amine (PubChem CID 64983731) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-6-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-6-methylquinazolin-4-amine
PubChem CID64983731
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-(2,5-dimethylphenyl)-6-methylquinazolin-4-amine
SMILESCc1ccc(C)c(-c2nc(N)c3cc(C)ccc3n2)c1
InChIInChI=1S/C17H17N3/c1-10-4-6-12(3)13(8-10)17-19-15-7-5-11(2)9-14(15)16(18)20-17/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyRTPUQJGVRDNXKJ-UHFFFAOYSA-N
XLogP3.80
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-6-methylquinazolin-4-amine?
The IUPAC name of 2-(2,5-dimethylphenyl)-6-methylquinazolin-4-amine (CID 64983731) is 2-(2,5-dimethylphenyl)-6-methylquinazolin-4-amine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-6-methylquinazolin-4-amine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-6-methylquinazolin-4-amine is Cc1ccc(C)c(-c2nc(N)c3cc(C)ccc3n2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-6-methylquinazolin-4-amine?
The InChIKey is RTPUQJGVRDNXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-10-4-6-12(3)13(8-10)17-19-15-7-5-11(2)9-14(15)16(18)20-17/h4-9H,1-3H3,(H2,18,19,20).
What are the key properties of 2-(2,5-dimethylphenyl)-6-methylquinazolin-4-amine?
2-(2,5-dimethylphenyl)-6-methylquinazolin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-6-methylquinazolin-4-amine is sourced from PubChem (CID 64983731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).