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

C15H16N6O4 — CID 57474695

IUPAC2-(2-hydroxyethylamino)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCOc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(NCCO)nc21
InChIInChI=1S/C15H16N6O4/c1-25-9-5-3-2-4-8(9)21-13-11(19-15(21)24)10(12(16)23)18-14(20-13)17-6-7-22/h2-5,22H,6-7H2,1H3,(H2,16,23)(H,19,24)(H,17,18,20)
InChIKeyNJCMAUCBBZGMEM-UHFFFAOYSA-N
MW344.33 g/mol
LogP-0.38
Rot. Bonds6

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

2-(2-hydroxyethylamino)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 57474695) has the molecular formula C15H16N6O4 and a molecular weight of 344.33 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
PubChem CID57474695
Molecular FormulaC15H16N6O4
Molecular Weight344.33 g/mol
Exact Mass344.12
IUPAC Name2-(2-hydroxyethylamino)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCOc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(NCCO)nc21
InChIInChI=1S/C15H16N6O4/c1-25-9-5-3-2-4-8(9)21-13-11(19-15(21)24)10(12(16)23)18-14(20-13)17-6-7-22/h2-5,22H,6-7H2,1H3,(H2,16,23)(H,19,24)(H,17,18,20)
InChIKeyNJCMAUCBBZGMEM-UHFFFAOYSA-N
XLogP-0.38
TPSA148.15 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 2-(2-hydroxyethylamino)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide (CID 57474695) is 2-(2-hydroxyethylamino)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 2-(2-hydroxyethylamino)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 2-(2-hydroxyethylamino)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide is COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(NCCO)nc21.
What is the InChIKey of 2-(2-hydroxyethylamino)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is NJCMAUCBBZGMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O4/c1-25-9-5-3-2-4-8(9)21-13-11(19-15(21)24)10(12(16)23)18-14(20-13)17-6-7-22/h2-5,22H,6-7H2,1H3,(H2,16,23)(H,19,24)(H,17,18,20).
What are the key properties of 2-(2-hydroxyethylamino)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
2-(2-hydroxyethylamino)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide has a molecular weight of 344.33 g/mol, XLogP of -0.38, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 57474695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).