2-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-7H-purine

C15H15ClN4O — CID 104786973

IUPAC2-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-7H-purine
SMILESCc1ccc(C(C)C)cc1Oc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C15H15ClN4O/c1-8(2)10-5-4-9(3)11(6-10)21-14-12-13(18-7-17-12)19-15(16)20-14/h4-8H,1-3H3,(H,17,18,19,20)
InChIKeyYXHQRLPBFPHYMN-UHFFFAOYSA-N
MW302.77 g/mol
LogP4.23
Rot. Bonds3

About 2-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-7H-purine

2-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-7H-purine (PubChem CID 104786973) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 2-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-7H-purine.

Molecular Properties

Compound Name2-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-7H-purine
PubChem CID104786973
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name2-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-7H-purine
SMILESCc1ccc(C(C)C)cc1Oc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C15H15ClN4O/c1-8(2)10-5-4-9(3)11(6-10)21-14-12-13(18-7-17-12)19-15(16)20-14/h4-8H,1-3H3,(H,17,18,19,20)
InChIKeyYXHQRLPBFPHYMN-UHFFFAOYSA-N
XLogP4.23
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-(5-chloro-2-methylphenoxy)-7H-purine
CID 104787024
2-chloro-6-(3,4-dimethylphenoxy)-7H-purine
CID 113453013
2-chloro-6-(2,3,5-trimethylphenoxy)-7H-purine
CID 104786959
2-chloro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine
CID 62338137
6-(4-propan-2-ylphenoxy)-7H-purin-2-amine
CID 114787126
2,3,5-trichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine
CID 102749594
2-chloro-6-(4-methylpentan-2-yloxy)-7H-purine
CID 104786882
2-chloro-6-(3-chlorophenoxy)-7H-purine
CID 104786941
2-chloro-6-(3-chloro-2-fluorophenoxy)-7H-purine
CID 116688984
2-chloro-6-(5-chloro-2-nitrophenoxy)-7H-purine
CID 104787001
3,5-dichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridin-2-amine
CID 102760807
2-chloro-N-(3-propan-2-ylphenyl)-7H-purin-6-amine
CID 104787073

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-7H-purine?
The IUPAC name of 2-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-7H-purine (CID 104786973) is 2-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-7H-purine.
What is the SMILES notation for 2-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-7H-purine?
The canonical SMILES for 2-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-7H-purine is Cc1ccc(C(C)C)cc1Oc1nc(Cl)nc2nc[nH]c12.
What is the InChIKey of 2-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-7H-purine?
The InChIKey is YXHQRLPBFPHYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-8(2)10-5-4-9(3)11(6-10)21-14-12-13(18-7-17-12)19-15(16)20-14/h4-8H,1-3H3,(H,17,18,19,20).
What are the key properties of 2-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-7H-purine?
2-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-7H-purine has a molecular weight of 302.77 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-7H-purine is sourced from PubChem (CID 104786973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).