2-chloro-6-methoxy-7-methyl-9-propylpurin-8-one

C10H13ClN4O2 — CID 11288347

IUPAC2-chloro-6-methoxy-7-methyl-9-propylpurin-8-one
SMILESCCCn1c(=O)n(C)c2c(OC)nc(Cl)nc21
InChIInChI=1S/C10H13ClN4O2/c1-4-5-15-7-6(14(2)10(15)16)8(17-3)13-9(11)12-7/h4-5H2,1-3H3
InChIKeyXNBSGUGQAWRILU-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.20
Rot. Bonds3

About 2-chloro-6-methoxy-7-methyl-9-propylpurin-8-one

2-chloro-6-methoxy-7-methyl-9-propylpurin-8-one (PubChem CID 11288347) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-chloro-6-methoxy-7-methyl-9-propylpurin-8-one.

Molecular Properties

Compound Name2-chloro-6-methoxy-7-methyl-9-propylpurin-8-one
PubChem CID11288347
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name2-chloro-6-methoxy-7-methyl-9-propylpurin-8-one
SMILESCCCn1c(=O)n(C)c2c(OC)nc(Cl)nc21
InChIInChI=1S/C10H13ClN4O2/c1-4-5-15-7-6(14(2)10(15)16)8(17-3)13-9(11)12-7/h4-5H2,1-3H3
InChIKeyXNBSGUGQAWRILU-UHFFFAOYSA-N
XLogP1.20
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-chloro-6-methoxy-7-methyl-9-propylpurin-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

1-[(4-chlorophenyl)methyl]-8-methoxy-7-methyl-3-propylpurine-2,6-dione;8-methoxy-7-methyl-3-propylpurine-2,6-dione
CID 158376153
7-ethyl-1-methyl-8-(methylamino)-3-propylpurine-2,6-dione
CID 82464656
6-amino-2-chloro-9-propyl-7H-purin-8-one
CID 11379172
8-(chloromethyl)-7-ethyl-3-(2-methoxyethyl)-1-methylpurine-2,6-dione
CID 82465077
7-(2-aminoethyl)-8-ethyl-1-methyl-3-propylpurine-2,6-dione
CID 82465873
6,8-dimethoxy-3,7-dimethylpurin-2-one
CID 45097833
8-(dicyclopropylmethyl)-1,7-dimethyl-3-propylpurine-2,6-dione
CID 11723303
1,3-dimethyl-8-propoxy-7-propylpurine-2,6-dione
CID 664016
7-(1-aminopropan-2-yl)-1-methyl-8-propan-2-yl-3-propylpurine-2,6-dione
CID 82465885
1,7-dimethyl-8-piperidin-4-yl-3-propylpurine-2,6-dione
CID 82464598
1-[(4-chlorophenyl)methyl]-8-(dimethylamino)-7-methyl-3-propylpurine-2,6-dione
CID 25062660
1-(2-aminoethyl)-7-methyl-3,8-dipropylpurine-2,6-dione
CID 82466297

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-7-methyl-9-propylpurin-8-one?
The IUPAC name of 2-chloro-6-methoxy-7-methyl-9-propylpurin-8-one (CID 11288347) is 2-chloro-6-methoxy-7-methyl-9-propylpurin-8-one.
What is the SMILES notation for 2-chloro-6-methoxy-7-methyl-9-propylpurin-8-one?
The canonical SMILES for 2-chloro-6-methoxy-7-methyl-9-propylpurin-8-one is CCCn1c(=O)n(C)c2c(OC)nc(Cl)nc21.
What is the InChIKey of 2-chloro-6-methoxy-7-methyl-9-propylpurin-8-one?
The InChIKey is XNBSGUGQAWRILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c1-4-5-15-7-6(14(2)10(15)16)8(17-3)13-9(11)12-7/h4-5H2,1-3H3.
What are the key properties of 2-chloro-6-methoxy-7-methyl-9-propylpurin-8-one?
2-chloro-6-methoxy-7-methyl-9-propylpurin-8-one has a molecular weight of 256.69 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-7-methyl-9-propylpurin-8-one is sourced from PubChem (CID 11288347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).