2,8-dimethyl-7H-purine;propane

C10H16N4 — CID 143020350

IUPAC2,8-dimethyl-7H-purine;propane
SMILESCCC.Cc1ncc2[nH]c(C)nc2n1
InChIInChI=1S/C7H8N4.C3H8/c1-4-8-3-6-7(10-4)11-5(2)9-6;1-3-2/h3H,1-2H3,(H,8,9,10,11);3H2,1-2H3
InChIKeyXMCDRVFMAXOVJL-UHFFFAOYSA-N
MW192.27 g/mol
LogP2.39
Rot. Bonds

About 2,8-dimethyl-7H-purine;propane

2,8-dimethyl-7H-purine;propane (PubChem CID 143020350) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 2,8-dimethyl-7H-purine;propane.

Molecular Properties

Compound Name2,8-dimethyl-7H-purine;propane
PubChem CID143020350
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name2,8-dimethyl-7H-purine;propane
SMILESCCC.Cc1ncc2[nH]c(C)nc2n1
InChIInChI=1S/C7H8N4.C3H8/c1-4-8-3-6-7(10-4)11-5(2)9-6;1-3-2/h3H,1-2H3,(H,8,9,10,11);3H2,1-2H3
InChIKeyXMCDRVFMAXOVJL-UHFFFAOYSA-N
XLogP2.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-2-propan-2-yl-7H-purine;molecular hydrogen
CID 155742681
3-[(8-methyl-7H-purin-2-yl)amino]prop-1-en-1-ol
CID 70470329
6-chloro-2-methyl-1H-imidazo[4,5-b]pyridine
CID 18526616
5-butyl-2-methyl-1H-imidazo[4,5-b]pyridine
CID 58118801
2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine
CID 59533509
2-methyl-6-(methylsulfanylmethyl)-3H-imidazo[4,5-c]pyridine
CID 146855352
4-methyl-3,5,7,10,12-pentazatricyclo[7.3.0.02,6]dodeca-1,4,6,8-tetraen-11-one
CID 141208367
2-methyl-6-prop-2-enyl-1H-imidazo[4,5-b]pyridine
CID 59533552
(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)hydrazine
CID 45120675
5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-2-methyl-1H-imidazo[4,5-b]pyridine
CID 155366063
(2-methylpyrido[2,3-d]pyrimidin-7-yl)methanamine
CID 82411430
6-(2-iodopropan-2-yl)-2-methyl-1H-imidazo[4,5-b]pyridine
CID 155136336

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-7H-purine;propane?
The IUPAC name of 2,8-dimethyl-7H-purine;propane (CID 143020350) is 2,8-dimethyl-7H-purine;propane.
What is the SMILES notation for 2,8-dimethyl-7H-purine;propane?
The canonical SMILES for 2,8-dimethyl-7H-purine;propane is CCC.Cc1ncc2[nH]c(C)nc2n1.
What is the InChIKey of 2,8-dimethyl-7H-purine;propane?
The InChIKey is XMCDRVFMAXOVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4.C3H8/c1-4-8-3-6-7(10-4)11-5(2)9-6;1-3-2/h3H,1-2H3,(H,8,9,10,11);3H2,1-2H3.
What are the key properties of 2,8-dimethyl-7H-purine;propane?
2,8-dimethyl-7H-purine;propane has a molecular weight of 192.27 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-7H-purine;propane is sourced from PubChem (CID 143020350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).