6-amino-9-[(6-ethyl-3-pyridinyl)methyl]-2-methyl-7H-purin-8-one

C14H16N6O — CID 159958552

IUPAC6-amino-9-[(6-ethyl-3-pyridinyl)methyl]-2-methyl-7H-purin-8-one
SMILESCCc1ccc(Cn2c(=O)[nH]c3c(N)nc(C)nc32)cn1
InChIInChI=1S/C14H16N6O/c1-3-10-5-4-9(6-16-10)7-20-13-11(19-14(20)21)12(15)17-8(2)18-13/h4-6H,3,7H2,1-2H3,(H,19,21)(H2,15,17,18)
InChIKeyODAHIOLATFBWEX-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.02
Rot. Bonds3

About 6-amino-9-[(6-ethyl-3-pyridinyl)methyl]-2-methyl-7H-purin-8-one

6-amino-9-[(6-ethyl-3-pyridinyl)methyl]-2-methyl-7H-purin-8-one (PubChem CID 159958552) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-amino-9-[(6-ethyl-3-pyridinyl)methyl]-2-methyl-7H-purin-8-one.

Molecular Properties

Compound Name6-amino-9-[(6-ethyl-3-pyridinyl)methyl]-2-methyl-7H-purin-8-one
PubChem CID159958552
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name6-amino-9-[(6-ethyl-3-pyridinyl)methyl]-2-methyl-7H-purin-8-one
SMILESCCc1ccc(Cn2c(=O)[nH]c3c(N)nc(C)nc32)cn1
InChIInChI=1S/C14H16N6O/c1-3-10-5-4-9(6-16-10)7-20-13-11(19-14(20)21)12(15)17-8(2)18-13/h4-6H,3,7H2,1-2H3,(H,19,21)(H2,15,17,18)
InChIKeyODAHIOLATFBWEX-UHFFFAOYSA-N
XLogP1.02
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-amino-9-[(6-ethyl-3-pyridinyl)methyl]-2-methyl-7H-purin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-2-methyl-9-[[6-(propylaminomethyl)-3-pyridinyl]methyl]-7H-purin-8-one
CID 159583005
6-amino-2-methyl-9-[[6-[4-(3-methylbutyl)phenoxy]-3-pyridinyl]methyl]-7H-purin-8-one
CID 159913053
6-amino-9-[(6-methyl-3-pyridinyl)methyl]-2-propylsulfanyl-7H-purin-8-one
CID 122671882
2,6-diamino-9-[(6-chloro-3-pyridinyl)methyl]-7H-purin-8-one
CID 174423329
6-amino-9-[[6-[[(4-aminophenyl)methylamino]methyl]-3-pyridinyl]methyl]-2-butoxy-7H-purin-8-one
CID 156596153
6-amino-2-butoxy-9-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]methyl]-7H-purin-8-one
CID 156596149
6-amino-9-[(6-chloro-3-pyridinyl)methyl]-2-dimethylphosphoryl-7H-purin-8-one
CID 170722671
6-amino-2-butoxy-9-[[5-(methylaminomethyl)-2-pyridinyl]methyl]-7H-purin-8-one
CID 164834408
6-amino-9-[[4-(chloromethyl)phenyl]methyl]-2-ethoxy-7H-purin-8-one;hydrochloride
CID 66921112
3-(2-aminoethoxy)-N-[[4-[[5-[(6-amino-2-methyl-8-oxo-7H-purin-9-yl)methyl]-2-pyridinyl]oxy]phenyl]methyl]-N-methylpropanamide
CID 147547385
6-amino-9-[[5-[(cyclopropylamino)methyl]pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-(hydroxymethyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one
CID 161424740
methyl 3-[6-amino-9-[(6-methyl-3-pyridinyl)methyl]-8-oxo-7H-purin-2-yl]propanoate;hydrochloride
CID 172861753

Frequently Asked Questions

What is the IUPAC name of 6-amino-9-[(6-ethyl-3-pyridinyl)methyl]-2-methyl-7H-purin-8-one?
The IUPAC name of 6-amino-9-[(6-ethyl-3-pyridinyl)methyl]-2-methyl-7H-purin-8-one (CID 159958552) is 6-amino-9-[(6-ethyl-3-pyridinyl)methyl]-2-methyl-7H-purin-8-one.
What is the SMILES notation for 6-amino-9-[(6-ethyl-3-pyridinyl)methyl]-2-methyl-7H-purin-8-one?
The canonical SMILES for 6-amino-9-[(6-ethyl-3-pyridinyl)methyl]-2-methyl-7H-purin-8-one is CCc1ccc(Cn2c(=O)[nH]c3c(N)nc(C)nc32)cn1.
What is the InChIKey of 6-amino-9-[(6-ethyl-3-pyridinyl)methyl]-2-methyl-7H-purin-8-one?
The InChIKey is ODAHIOLATFBWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-3-10-5-4-9(6-16-10)7-20-13-11(19-14(20)21)12(15)17-8(2)18-13/h4-6H,3,7H2,1-2H3,(H,19,21)(H2,15,17,18).
What are the key properties of 6-amino-9-[(6-ethyl-3-pyridinyl)methyl]-2-methyl-7H-purin-8-one?
6-amino-9-[(6-ethyl-3-pyridinyl)methyl]-2-methyl-7H-purin-8-one has a molecular weight of 284.32 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-9-[(6-ethyl-3-pyridinyl)methyl]-2-methyl-7H-purin-8-one is sourced from PubChem (CID 159958552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).