6-amino-N-methyl-9-[(4-methylphenyl)methyl]-8-oxo-N-propylpurine-7-carboxamide

C18H22N6O2 — CID 134360615

IUPAC6-amino-N-methyl-9-[(4-methylphenyl)methyl]-8-oxo-N-propylpurine-7-carboxamide
SMILESCCCN(C)C(=O)n1c(=O)n(Cc2ccc(C)cc2)c2ncnc(N)c21
InChIInChI=1S/C18H22N6O2/c1-4-9-22(3)17(25)24-14-15(19)20-11-21-16(14)23(18(24)26)10-13-7-5-12(2)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H2,19,20,21)
InChIKeyZCVMLSQHDICUTA-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.84
Rot. Bonds4

About 6-amino-N-methyl-9-[(4-methylphenyl)methyl]-8-oxo-N-propylpurine-7-carboxamide

6-amino-N-methyl-9-[(4-methylphenyl)methyl]-8-oxo-N-propylpurine-7-carboxamide (PubChem CID 134360615) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 6-amino-N-methyl-9-[(4-methylphenyl)methyl]-8-oxo-N-propylpurine-7-carboxamide.

Molecular Properties

Compound Name6-amino-N-methyl-9-[(4-methylphenyl)methyl]-8-oxo-N-propylpurine-7-carboxamide
PubChem CID134360615
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name6-amino-N-methyl-9-[(4-methylphenyl)methyl]-8-oxo-N-propylpurine-7-carboxamide
SMILESCCCN(C)C(=O)n1c(=O)n(Cc2ccc(C)cc2)c2ncnc(N)c21
InChIInChI=1S/C18H22N6O2/c1-4-9-22(3)17(25)24-14-15(19)20-11-21-16(14)23(18(24)26)10-13-7-5-12(2)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H2,19,20,21)
InChIKeyZCVMLSQHDICUTA-UHFFFAOYSA-N
XLogP1.84
TPSA99.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-methyl-9-[(4-methylphenyl)methyl]-8-oxo-N-propylpurine-7-carboxamide?
The IUPAC name of 6-amino-N-methyl-9-[(4-methylphenyl)methyl]-8-oxo-N-propylpurine-7-carboxamide (CID 134360615) is 6-amino-N-methyl-9-[(4-methylphenyl)methyl]-8-oxo-N-propylpurine-7-carboxamide.
What is the SMILES notation for 6-amino-N-methyl-9-[(4-methylphenyl)methyl]-8-oxo-N-propylpurine-7-carboxamide?
The canonical SMILES for 6-amino-N-methyl-9-[(4-methylphenyl)methyl]-8-oxo-N-propylpurine-7-carboxamide is CCCN(C)C(=O)n1c(=O)n(Cc2ccc(C)cc2)c2ncnc(N)c21.
What is the InChIKey of 6-amino-N-methyl-9-[(4-methylphenyl)methyl]-8-oxo-N-propylpurine-7-carboxamide?
The InChIKey is ZCVMLSQHDICUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-4-9-22(3)17(25)24-14-15(19)20-11-21-16(14)23(18(24)26)10-13-7-5-12(2)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H2,19,20,21).
What are the key properties of 6-amino-N-methyl-9-[(4-methylphenyl)methyl]-8-oxo-N-propylpurine-7-carboxamide?
6-amino-N-methyl-9-[(4-methylphenyl)methyl]-8-oxo-N-propylpurine-7-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-methyl-9-[(4-methylphenyl)methyl]-8-oxo-N-propylpurine-7-carboxamide is sourced from PubChem (CID 134360615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).