2-cyclohexyl-9-(4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide

C19H21N5O3 — CID 7196922

IUPAC2-cyclohexyl-9-(4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCOc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(C4CCCCC4)nc32)cc1
InChIInChI=1S/C19H21N5O3/c1-27-13-9-7-12(8-10-13)24-18-15(22-19(24)26)14(16(20)25)21-17(23-18)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H2,20,25)(H,22,26)
InChIKeyXARRBHISDJGPLE-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.26
Rot. Bonds4

About 2-cyclohexyl-9-(4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide

2-cyclohexyl-9-(4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 7196922) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-cyclohexyl-9-(4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-9-(4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
PubChem CID7196922
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name2-cyclohexyl-9-(4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCOc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(C4CCCCC4)nc32)cc1
InChIInChI=1S/C19H21N5O3/c1-27-13-9-7-12(8-10-13)24-18-15(22-19(24)26)14(16(20)25)21-17(23-18)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H2,20,25)(H,22,26)
InChIKeyXARRBHISDJGPLE-UHFFFAOYSA-N
XLogP2.26
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-9-(4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 2-cyclohexyl-9-(4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide (CID 7196922) is 2-cyclohexyl-9-(4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 2-cyclohexyl-9-(4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 2-cyclohexyl-9-(4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide is COc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(C4CCCCC4)nc32)cc1.
What is the InChIKey of 2-cyclohexyl-9-(4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is XARRBHISDJGPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-27-13-9-7-12(8-10-13)24-18-15(22-19(24)26)14(16(20)25)21-17(23-18)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H2,20,25)(H,22,26).
What are the key properties of 2-cyclohexyl-9-(4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
2-cyclohexyl-9-(4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-9-(4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 7196922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).