6-amino-9-benzyl-N-ethyl-8-oxo-7H-purine-2-carboxamide

C15H16N6O2 — CID 11977604

IUPAC6-amino-9-benzyl-N-ethyl-8-oxo-7H-purine-2-carboxamide
SMILESCCNC(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1
InChIInChI=1S/C15H16N6O2/c1-2-17-14(22)12-19-11(16)10-13(20-12)21(15(23)18-10)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,17,22)(H,18,23)(H2,16,19,20)
InChIKeyKHXXYAGASLNMNU-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.50
Rot. Bonds4

About 6-amino-9-benzyl-N-ethyl-8-oxo-7H-purine-2-carboxamide

6-amino-9-benzyl-N-ethyl-8-oxo-7H-purine-2-carboxamide (PubChem CID 11977604) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 6-amino-9-benzyl-N-ethyl-8-oxo-7H-purine-2-carboxamide.

Molecular Properties

Compound Name6-amino-9-benzyl-N-ethyl-8-oxo-7H-purine-2-carboxamide
PubChem CID11977604
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name6-amino-9-benzyl-N-ethyl-8-oxo-7H-purine-2-carboxamide
SMILESCCNC(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1
InChIInChI=1S/C15H16N6O2/c1-2-17-14(22)12-19-11(16)10-13(20-12)21(15(23)18-10)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,17,22)(H,18,23)(H2,16,19,20)
InChIKeyKHXXYAGASLNMNU-UHFFFAOYSA-N
XLogP0.50
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-9-benzyl-N-ethyl-8-oxo-7H-purine-2-carboxamide?
The IUPAC name of 6-amino-9-benzyl-N-ethyl-8-oxo-7H-purine-2-carboxamide (CID 11977604) is 6-amino-9-benzyl-N-ethyl-8-oxo-7H-purine-2-carboxamide.
What is the SMILES notation for 6-amino-9-benzyl-N-ethyl-8-oxo-7H-purine-2-carboxamide?
The canonical SMILES for 6-amino-9-benzyl-N-ethyl-8-oxo-7H-purine-2-carboxamide is CCNC(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1.
What is the InChIKey of 6-amino-9-benzyl-N-ethyl-8-oxo-7H-purine-2-carboxamide?
The InChIKey is KHXXYAGASLNMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-2-17-14(22)12-19-11(16)10-13(20-12)21(15(23)18-10)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,17,22)(H,18,23)(H2,16,19,20).
What are the key properties of 6-amino-9-benzyl-N-ethyl-8-oxo-7H-purine-2-carboxamide?
6-amino-9-benzyl-N-ethyl-8-oxo-7H-purine-2-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-9-benzyl-N-ethyl-8-oxo-7H-purine-2-carboxamide is sourced from PubChem (CID 11977604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).