4-[6-(dimethylamino)-9-(4-methylphenyl)purin-2-yl]phenol

C20H19N5O — CID 135932612

IUPAC4-[6-(dimethylamino)-9-(4-methylphenyl)purin-2-yl]phenol
SMILESCc1ccc(-n2cnc3c(N(C)C)nc(-c4ccc(O)cc4)nc32)cc1
InChIInChI=1S/C20H19N5O/c1-13-4-8-15(9-5-13)25-12-21-17-19(24(2)3)22-18(23-20(17)25)14-6-10-16(26)11-7-14/h4-12,26H,1-3H3
InChIKeyASURBPAWMXDPKN-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.56
Rot. Bonds3

About 4-[6-(dimethylamino)-9-(4-methylphenyl)purin-2-yl]phenol

4-[6-(dimethylamino)-9-(4-methylphenyl)purin-2-yl]phenol (PubChem CID 135932612) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-[6-(dimethylamino)-9-(4-methylphenyl)purin-2-yl]phenol.

Molecular Properties

Compound Name4-[6-(dimethylamino)-9-(4-methylphenyl)purin-2-yl]phenol
PubChem CID135932612
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name4-[6-(dimethylamino)-9-(4-methylphenyl)purin-2-yl]phenol
SMILESCc1ccc(-n2cnc3c(N(C)C)nc(-c4ccc(O)cc4)nc32)cc1
InChIInChI=1S/C20H19N5O/c1-13-4-8-15(9-5-13)25-12-21-17-19(24(2)3)22-18(23-20(17)25)14-6-10-16(26)11-7-14/h4-12,26H,1-3H3
InChIKeyASURBPAWMXDPKN-UHFFFAOYSA-N
XLogP3.56
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(dimethylamino)-9-(4-methylphenyl)purin-2-yl]phenol?
The IUPAC name of 4-[6-(dimethylamino)-9-(4-methylphenyl)purin-2-yl]phenol (CID 135932612) is 4-[6-(dimethylamino)-9-(4-methylphenyl)purin-2-yl]phenol.
What is the SMILES notation for 4-[6-(dimethylamino)-9-(4-methylphenyl)purin-2-yl]phenol?
The canonical SMILES for 4-[6-(dimethylamino)-9-(4-methylphenyl)purin-2-yl]phenol is Cc1ccc(-n2cnc3c(N(C)C)nc(-c4ccc(O)cc4)nc32)cc1.
What is the InChIKey of 4-[6-(dimethylamino)-9-(4-methylphenyl)purin-2-yl]phenol?
The InChIKey is ASURBPAWMXDPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-13-4-8-15(9-5-13)25-12-21-17-19(24(2)3)22-18(23-20(17)25)14-6-10-16(26)11-7-14/h4-12,26H,1-3H3.
What are the key properties of 4-[6-(dimethylamino)-9-(4-methylphenyl)purin-2-yl]phenol?
4-[6-(dimethylamino)-9-(4-methylphenyl)purin-2-yl]phenol has a molecular weight of 345.41 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(dimethylamino)-9-(4-methylphenyl)purin-2-yl]phenol is sourced from PubChem (CID 135932612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).