2-(2-amino-6-methyl-3-pyridinyl)-N-(2,2-diphenylethyl)quinazolin-4-amine

C28H25N5 — CID 121377251

IUPAC2-(2-amino-6-methyl-3-pyridinyl)-N-(2,2-diphenylethyl)quinazolin-4-amine
SMILESCc1ccc(-c2nc(NCC(c3ccccc3)c3ccccc3)c3ccccc3n2)c(N)n1
InChIInChI=1S/C28H25N5/c1-19-16-17-23(26(29)31-19)28-32-25-15-9-8-14-22(25)27(33-28)30-18-24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-17,24H,18H2,1H3,(H2,29,31)(H,30,32,33)
InChIKeyWBSXXMVQKXZHNB-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.83
Rot. Bonds6

About 2-(2-amino-6-methyl-3-pyridinyl)-N-(2,2-diphenylethyl)quinazolin-4-amine

2-(2-amino-6-methyl-3-pyridinyl)-N-(2,2-diphenylethyl)quinazolin-4-amine (PubChem CID 121377251) has the molecular formula C28H25N5 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-(2-amino-6-methyl-3-pyridinyl)-N-(2,2-diphenylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-amino-6-methyl-3-pyridinyl)-N-(2,2-diphenylethyl)quinazolin-4-amine
PubChem CID121377251
Molecular FormulaC28H25N5
Molecular Weight431.54 g/mol
Exact Mass431.21
IUPAC Name2-(2-amino-6-methyl-3-pyridinyl)-N-(2,2-diphenylethyl)quinazolin-4-amine
SMILESCc1ccc(-c2nc(NCC(c3ccccc3)c3ccccc3)c3ccccc3n2)c(N)n1
InChIInChI=1S/C28H25N5/c1-19-16-17-23(26(29)31-19)28-32-25-15-9-8-14-22(25)27(33-28)30-18-24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-17,24H,18H2,1H3,(H2,29,31)(H,30,32,33)
InChIKeyWBSXXMVQKXZHNB-UHFFFAOYSA-N
XLogP5.83
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-methyl-3-pyridinyl)-N-(2,2-diphenylethyl)quinazolin-4-amine?
The IUPAC name of 2-(2-amino-6-methyl-3-pyridinyl)-N-(2,2-diphenylethyl)quinazolin-4-amine (CID 121377251) is 2-(2-amino-6-methyl-3-pyridinyl)-N-(2,2-diphenylethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(2-amino-6-methyl-3-pyridinyl)-N-(2,2-diphenylethyl)quinazolin-4-amine?
The canonical SMILES for 2-(2-amino-6-methyl-3-pyridinyl)-N-(2,2-diphenylethyl)quinazolin-4-amine is Cc1ccc(-c2nc(NCC(c3ccccc3)c3ccccc3)c3ccccc3n2)c(N)n1.
What is the InChIKey of 2-(2-amino-6-methyl-3-pyridinyl)-N-(2,2-diphenylethyl)quinazolin-4-amine?
The InChIKey is WBSXXMVQKXZHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5/c1-19-16-17-23(26(29)31-19)28-32-25-15-9-8-14-22(25)27(33-28)30-18-24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-17,24H,18H2,1H3,(H2,29,31)(H,30,32,33).
What are the key properties of 2-(2-amino-6-methyl-3-pyridinyl)-N-(2,2-diphenylethyl)quinazolin-4-amine?
2-(2-amino-6-methyl-3-pyridinyl)-N-(2,2-diphenylethyl)quinazolin-4-amine has a molecular weight of 431.54 g/mol, XLogP of 5.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-methyl-3-pyridinyl)-N-(2,2-diphenylethyl)quinazolin-4-amine is sourced from PubChem (CID 121377251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).