6-(5-amino-2-methylphenyl)-8-methyl-N-(6-methyl-3-pyridinyl)quinazolin-2-amine

C22H21N5 — CID 166899002

IUPAC6-(5-amino-2-methylphenyl)-8-methyl-N-(6-methyl-3-pyridinyl)quinazolin-2-amine
SMILESCc1ccc(Nc2ncc3cc(-c4cc(N)ccc4C)cc(C)c3n2)cn1
InChIInChI=1S/C22H21N5/c1-13-4-6-18(23)10-20(13)16-8-14(2)21-17(9-16)11-25-22(27-21)26-19-7-5-15(3)24-12-19/h4-12H,23H2,1-3H3,(H,25,26,27)
InChIKeyWQGATQUPDNFMIE-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.94
Rot. Bonds3

About 6-(5-amino-2-methylphenyl)-8-methyl-N-(6-methyl-3-pyridinyl)quinazolin-2-amine

6-(5-amino-2-methylphenyl)-8-methyl-N-(6-methyl-3-pyridinyl)quinazolin-2-amine (PubChem CID 166899002) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 6-(5-amino-2-methylphenyl)-8-methyl-N-(6-methyl-3-pyridinyl)quinazolin-2-amine.

Molecular Properties

Compound Name6-(5-amino-2-methylphenyl)-8-methyl-N-(6-methyl-3-pyridinyl)quinazolin-2-amine
PubChem CID166899002
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name6-(5-amino-2-methylphenyl)-8-methyl-N-(6-methyl-3-pyridinyl)quinazolin-2-amine
SMILESCc1ccc(Nc2ncc3cc(-c4cc(N)ccc4C)cc(C)c3n2)cn1
InChIInChI=1S/C22H21N5/c1-13-4-6-18(23)10-20(13)16-8-14(2)21-17(9-16)11-25-22(27-21)26-19-7-5-15(3)24-12-19/h4-12H,23H2,1-3H3,(H,25,26,27)
InChIKeyWQGATQUPDNFMIE-UHFFFAOYSA-N
XLogP4.94
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-2-methylphenyl)-8-methyl-N-(6-methyl-3-pyridinyl)quinazolin-2-amine?
The IUPAC name of 6-(5-amino-2-methylphenyl)-8-methyl-N-(6-methyl-3-pyridinyl)quinazolin-2-amine (CID 166899002) is 6-(5-amino-2-methylphenyl)-8-methyl-N-(6-methyl-3-pyridinyl)quinazolin-2-amine.
What is the SMILES notation for 6-(5-amino-2-methylphenyl)-8-methyl-N-(6-methyl-3-pyridinyl)quinazolin-2-amine?
The canonical SMILES for 6-(5-amino-2-methylphenyl)-8-methyl-N-(6-methyl-3-pyridinyl)quinazolin-2-amine is Cc1ccc(Nc2ncc3cc(-c4cc(N)ccc4C)cc(C)c3n2)cn1.
What is the InChIKey of 6-(5-amino-2-methylphenyl)-8-methyl-N-(6-methyl-3-pyridinyl)quinazolin-2-amine?
The InChIKey is WQGATQUPDNFMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-13-4-6-18(23)10-20(13)16-8-14(2)21-17(9-16)11-25-22(27-21)26-19-7-5-15(3)24-12-19/h4-12H,23H2,1-3H3,(H,25,26,27).
What are the key properties of 6-(5-amino-2-methylphenyl)-8-methyl-N-(6-methyl-3-pyridinyl)quinazolin-2-amine?
6-(5-amino-2-methylphenyl)-8-methyl-N-(6-methyl-3-pyridinyl)quinazolin-2-amine has a molecular weight of 355.45 g/mol, XLogP of 4.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-2-methylphenyl)-8-methyl-N-(6-methyl-3-pyridinyl)quinazolin-2-amine is sourced from PubChem (CID 166899002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).