9-[[5-methyl-3-(2-phenylmethoxyphenyl)-2H-quinazolin-2-yl]methyl]purin-6-amine

C28H25N7O — CID 141070615

IUPAC9-[[5-methyl-3-(2-phenylmethoxyphenyl)-2H-quinazolin-2-yl]methyl]purin-6-amine
SMILESCc1cccc2c1=CN(c1ccccc1OCc1ccccc1)C(Cn1cnc3c(N)ncnc31)N=2
InChIInChI=1S/C28H25N7O/c1-19-8-7-11-22-21(19)14-35(23-12-5-6-13-24(23)36-16-20-9-3-2-4-10-20)25(33-22)15-34-18-32-26-27(29)30-17-31-28(26)34/h2-14,17-18,25H,15-16H2,1H3,(H2,29,30,31)
InChIKeyHVIPAXDFCJXJNT-UHFFFAOYSA-N
MW475.56 g/mol
LogP3.20
Rot. Bonds6

About 9-[[5-methyl-3-(2-phenylmethoxyphenyl)-2H-quinazolin-2-yl]methyl]purin-6-amine

9-[[5-methyl-3-(2-phenylmethoxyphenyl)-2H-quinazolin-2-yl]methyl]purin-6-amine (PubChem CID 141070615) has the molecular formula C28H25N7O and a molecular weight of 475.56 g/mol. Its IUPAC name is 9-[[5-methyl-3-(2-phenylmethoxyphenyl)-2H-quinazolin-2-yl]methyl]purin-6-amine.

Molecular Properties

Compound Name9-[[5-methyl-3-(2-phenylmethoxyphenyl)-2H-quinazolin-2-yl]methyl]purin-6-amine
PubChem CID141070615
Molecular FormulaC28H25N7O
Molecular Weight475.56 g/mol
Exact Mass475.21
IUPAC Name9-[[5-methyl-3-(2-phenylmethoxyphenyl)-2H-quinazolin-2-yl]methyl]purin-6-amine
SMILESCc1cccc2c1=CN(c1ccccc1OCc1ccccc1)C(Cn1cnc3c(N)ncnc31)N=2
InChIInChI=1S/C28H25N7O/c1-19-8-7-11-22-21(19)14-35(23-12-5-6-13-24(23)36-16-20-9-3-2-4-10-20)25(33-22)15-34-18-32-26-27(29)30-17-31-28(26)34/h2-14,17-18,25H,15-16H2,1H3,(H2,29,30,31)
InChIKeyHVIPAXDFCJXJNT-UHFFFAOYSA-N
XLogP3.20
TPSA94.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.56
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-[[5-methyl-3-(2-phenylmethoxyphenyl)-2H-quinazolin-2-yl]methyl]purin-6-amine?
The IUPAC name of 9-[[5-methyl-3-(2-phenylmethoxyphenyl)-2H-quinazolin-2-yl]methyl]purin-6-amine (CID 141070615) is 9-[[5-methyl-3-(2-phenylmethoxyphenyl)-2H-quinazolin-2-yl]methyl]purin-6-amine.
What is the SMILES notation for 9-[[5-methyl-3-(2-phenylmethoxyphenyl)-2H-quinazolin-2-yl]methyl]purin-6-amine?
The canonical SMILES for 9-[[5-methyl-3-(2-phenylmethoxyphenyl)-2H-quinazolin-2-yl]methyl]purin-6-amine is Cc1cccc2c1=CN(c1ccccc1OCc1ccccc1)C(Cn1cnc3c(N)ncnc31)N=2.
What is the InChIKey of 9-[[5-methyl-3-(2-phenylmethoxyphenyl)-2H-quinazolin-2-yl]methyl]purin-6-amine?
The InChIKey is HVIPAXDFCJXJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O/c1-19-8-7-11-22-21(19)14-35(23-12-5-6-13-24(23)36-16-20-9-3-2-4-10-20)25(33-22)15-34-18-32-26-27(29)30-17-31-28(26)34/h2-14,17-18,25H,15-16H2,1H3,(H2,29,30,31).
What are the key properties of 9-[[5-methyl-3-(2-phenylmethoxyphenyl)-2H-quinazolin-2-yl]methyl]purin-6-amine?
9-[[5-methyl-3-(2-phenylmethoxyphenyl)-2H-quinazolin-2-yl]methyl]purin-6-amine has a molecular weight of 475.56 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[5-methyl-3-(2-phenylmethoxyphenyl)-2H-quinazolin-2-yl]methyl]purin-6-amine is sourced from PubChem (CID 141070615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).