6-methoxy-9-propa-1,2-dienylpurine

C9H8N4O — CID 102225006

IUPAC6-methoxy-9-propa-1,2-dienylpurine
SMILESC=C=Cn1cnc2c(OC)ncnc21
InChIInChI=1S/C9H8N4O/c1-3-4-13-6-12-7-8(13)10-5-11-9(7)14-2/h4-6H,1H2,2H3
InChIKeyMXRILRYJGMLZGH-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.09
Rot. Bonds2

About 6-methoxy-9-propa-1,2-dienylpurine

6-methoxy-9-propa-1,2-dienylpurine (PubChem CID 102225006) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 6-methoxy-9-propa-1,2-dienylpurine.

Molecular Properties

Compound Name6-methoxy-9-propa-1,2-dienylpurine
PubChem CID102225006
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name6-methoxy-9-propa-1,2-dienylpurine
SMILESC=C=Cn1cnc2c(OC)ncnc21
InChIInChI=1S/C9H8N4O/c1-3-4-13-6-12-7-8(13)10-5-11-9(7)14-2/h4-6H,1H2,2H3
InChIKeyMXRILRYJGMLZGH-UHFFFAOYSA-N
XLogP1.09
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-9-propa-1,2-dienylpurine 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-methoxy-9-(1-phenylethyl)purine
CID 102458485
9-methyl-6-prop-2-enoxypurine
CID 126954770
[(2S,4R)-4-(6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 10037827
9-[(3aR,4R,6R,6aR)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-methoxypurine
CID 102427604
(2-chlorophenyl)-(6-methoxypurin-9-yl)methanone
CID 162667994
N-[3-[(6-methoxypurin-9-yl)methyl]phenyl]formamide
CID 15733211
5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol
CID 76803071
2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol
CID 14803552
CID 90086112
CID 90086112
[(2R,3R,4S,5R)-2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)-4-propanoyloxyoxolan-3-yl] propanoate
CID 15115677
6-methoxy-9-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]purine
CID 46903494
9-[(3aR,6S,6aS)-2,2,4-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-6-methoxypurine
CID 102427607

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9-propa-1,2-dienylpurine?
The IUPAC name of 6-methoxy-9-propa-1,2-dienylpurine (CID 102225006) is 6-methoxy-9-propa-1,2-dienylpurine.
What is the SMILES notation for 6-methoxy-9-propa-1,2-dienylpurine?
The canonical SMILES for 6-methoxy-9-propa-1,2-dienylpurine is C=C=Cn1cnc2c(OC)ncnc21.
What is the InChIKey of 6-methoxy-9-propa-1,2-dienylpurine?
The InChIKey is MXRILRYJGMLZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c1-3-4-13-6-12-7-8(13)10-5-11-9(7)14-2/h4-6H,1H2,2H3.
What are the key properties of 6-methoxy-9-propa-1,2-dienylpurine?
6-methoxy-9-propa-1,2-dienylpurine has a molecular weight of 188.19 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9-propa-1,2-dienylpurine is sourced from PubChem (CID 102225006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).