methane;7-propan-2-ylpurin-6-amine

C9H15N5 — CID 161152201

IUPACmethane;7-propan-2-ylpurin-6-amine
SMILESC.CC(C)n1cnc2ncnc(N)c21
InChIInChI=1S/C8H11N5.CH4/c1-5(2)13-4-12-8-6(13)7(9)10-3-11-8;/h3-5H,1-2H3,(H2,9,10,11);1H4
InChIKeyUOVGNFLDOHWCKD-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.63
Rot. Bonds1

About methane;7-propan-2-ylpurin-6-amine

methane;7-propan-2-ylpurin-6-amine (PubChem CID 161152201) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is methane;7-propan-2-ylpurin-6-amine.

Molecular Properties

Compound Namemethane;7-propan-2-ylpurin-6-amine
PubChem CID161152201
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Namemethane;7-propan-2-ylpurin-6-amine
SMILESC.CC(C)n1cnc2ncnc(N)c21
InChIInChI=1S/C8H11N5.CH4/c1-5(2)13-4-12-8-6(13)7(9)10-3-11-8;/h3-5H,1-2H3,(H2,9,10,11);1H4
InChIKeyUOVGNFLDOHWCKD-UHFFFAOYSA-N
XLogP1.63
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-aminopurin-7-yl)ethanol
CID 69202228
2-(6-aminopurin-7-yl)pent-4-en-1-ol
CID 10632666
3-(6-aminopurin-7-yl)butoxymethylphosphonic acid
CID 11460810
1-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
CID 23562746
7-(trifluoromethyl)purin-6-amine
CID 175403495
[2-(6-aminopurin-7-yl)-4-fluorobutoxy]methylphosphonic acid
CID 11151317
2-amino-7-propan-2-yl-1H-purin-6-one
CID 135618536
7-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-4-amine
CID 126489243
3-(6-aminopurin-7-yl)propane-1,2-diol
CID 20847387
3-bromo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 71254972
7-pentadecylpurin-6-amine;hydrochloride
CID 67926278
[2-(6-aminopurin-7-yl)-4-hydroxybutoxy]methyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
CID 11713063

Frequently Asked Questions

What is the IUPAC name of methane;7-propan-2-ylpurin-6-amine?
The IUPAC name of methane;7-propan-2-ylpurin-6-amine (CID 161152201) is methane;7-propan-2-ylpurin-6-amine.
What is the SMILES notation for methane;7-propan-2-ylpurin-6-amine?
The canonical SMILES for methane;7-propan-2-ylpurin-6-amine is C.CC(C)n1cnc2ncnc(N)c21.
What is the InChIKey of methane;7-propan-2-ylpurin-6-amine?
The InChIKey is UOVGNFLDOHWCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5.CH4/c1-5(2)13-4-12-8-6(13)7(9)10-3-11-8;/h3-5H,1-2H3,(H2,9,10,11);1H4.
What are the key properties of methane;7-propan-2-ylpurin-6-amine?
methane;7-propan-2-ylpurin-6-amine has a molecular weight of 193.25 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;7-propan-2-ylpurin-6-amine is sourced from PubChem (CID 161152201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).