9-(dicyclopropylmethyl)-8-ethyl-6-(4-methoxy-2-methylphenyl)purine

C22H26N4O — CID 18001336

IUPAC9-(dicyclopropylmethyl)-8-ethyl-6-(4-methoxy-2-methylphenyl)purine
SMILESCCc1nc2c(-c3ccc(OC)cc3C)ncnc2n1C(C1CC1)C1CC1
InChIInChI=1S/C22H26N4O/c1-4-18-25-20-19(17-10-9-16(27-3)11-13(17)2)23-12-24-22(20)26(18)21(14-5-6-14)15-7-8-15/h9-12,14-15,21H,4-8H2,1-3H3
InChIKeyXOFUTMMEIRJUDZ-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.73
Rot. Bonds6

About 9-(dicyclopropylmethyl)-8-ethyl-6-(4-methoxy-2-methylphenyl)purine

9-(dicyclopropylmethyl)-8-ethyl-6-(4-methoxy-2-methylphenyl)purine (PubChem CID 18001336) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 9-(dicyclopropylmethyl)-8-ethyl-6-(4-methoxy-2-methylphenyl)purine.

Molecular Properties

Compound Name9-(dicyclopropylmethyl)-8-ethyl-6-(4-methoxy-2-methylphenyl)purine
PubChem CID18001336
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name9-(dicyclopropylmethyl)-8-ethyl-6-(4-methoxy-2-methylphenyl)purine
SMILESCCc1nc2c(-c3ccc(OC)cc3C)ncnc2n1C(C1CC1)C1CC1
InChIInChI=1S/C22H26N4O/c1-4-18-25-20-19(17-10-9-16(27-3)11-13(17)2)23-12-24-22(20)26(18)21(14-5-6-14)15-7-8-15/h9-12,14-15,21H,4-8H2,1-3H3
InChIKeyXOFUTMMEIRJUDZ-UHFFFAOYSA-N
XLogP4.73
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(dicyclopropylmethyl)-8-ethyl-6-(4-methoxy-2-methylphenyl)purine?
The IUPAC name of 9-(dicyclopropylmethyl)-8-ethyl-6-(4-methoxy-2-methylphenyl)purine (CID 18001336) is 9-(dicyclopropylmethyl)-8-ethyl-6-(4-methoxy-2-methylphenyl)purine.
What is the SMILES notation for 9-(dicyclopropylmethyl)-8-ethyl-6-(4-methoxy-2-methylphenyl)purine?
The canonical SMILES for 9-(dicyclopropylmethyl)-8-ethyl-6-(4-methoxy-2-methylphenyl)purine is CCc1nc2c(-c3ccc(OC)cc3C)ncnc2n1C(C1CC1)C1CC1.
What is the InChIKey of 9-(dicyclopropylmethyl)-8-ethyl-6-(4-methoxy-2-methylphenyl)purine?
The InChIKey is XOFUTMMEIRJUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-4-18-25-20-19(17-10-9-16(27-3)11-13(17)2)23-12-24-22(20)26(18)21(14-5-6-14)15-7-8-15/h9-12,14-15,21H,4-8H2,1-3H3.
What are the key properties of 9-(dicyclopropylmethyl)-8-ethyl-6-(4-methoxy-2-methylphenyl)purine?
9-(dicyclopropylmethyl)-8-ethyl-6-(4-methoxy-2-methylphenyl)purine has a molecular weight of 362.48 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(dicyclopropylmethyl)-8-ethyl-6-(4-methoxy-2-methylphenyl)purine is sourced from PubChem (CID 18001336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).