2,6,8,9-tetra(propan-2-yl)purine

C17H28N4 — CID 176767202

IUPAC2,6,8,9-tetra(propan-2-yl)purine
SMILESCC(C)c1nc(C(C)C)c2nc(C(C)C)n(C(C)C)c2n1
InChIInChI=1S/C17H28N4/c1-9(2)13-14-17(20-15(18-13)10(3)4)21(12(7)8)16(19-14)11(5)6/h9-12H,1-8H3
InChIKeySKTMSBWOJMCFMW-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.78
Rot. Bonds4

About 2,6,8,9-tetra(propan-2-yl)purine

2,6,8,9-tetra(propan-2-yl)purine (PubChem CID 176767202) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2,6,8,9-tetra(propan-2-yl)purine.

Molecular Properties

Compound Name2,6,8,9-tetra(propan-2-yl)purine
PubChem CID176767202
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2,6,8,9-tetra(propan-2-yl)purine
SMILESCC(C)c1nc(C(C)C)c2nc(C(C)C)n(C(C)C)c2n1
InChIInChI=1S/C17H28N4/c1-9(2)13-14-17(20-15(18-13)10(3)4)21(12(7)8)16(19-14)11(5)6/h9-12H,1-8H3
InChIKeySKTMSBWOJMCFMW-UHFFFAOYSA-N
XLogP4.78
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5-tri(propan-2-yl)imidazo[4,5-d][1,3]thiazole
CID 177096352
6-ethoxy-8,9-di(propan-2-yl)purine
CID 154716536
2,6,8-tri(propan-2-yl)imidazo[1,5-a][1,3,5]triazine
CID 170938160
9-(oxolan-2-yl)-2,6-di(propan-2-yl)purine
CID 176926702
4-[1-[2,6-di(propan-2-yl)purin-9-yl]ethyl]-1,2-thiazole
CID 176927861
1-[[2,6-di(propan-2-yl)purin-9-yl]methyl]cyclopropane-1-carboxamide
CID 176927591
1,7-di(propan-2-yl)pyrimido[4,5-d]pyrimidin-2-one
CID 121384081
6-methyl-3,5-di(propan-2-yl)-1,2,4-triazine
CID 20722938
3-methyl-4,5-di(propan-2-yl)-1,2,4-triazole
CID 162010980
2,4-di(propan-2-yl)-6-(4-propan-2-ylpiperidin-1-yl)-1,3,5-triazine
CID 164932534
5-methyl-2,4-di(propan-2-yl)-6-propylpyrimidine
CID 140752130
3-(6-butan-2-yl-2-propan-2-ylpurin-9-yl)propanenitrile;9-(cyclopropylmethyl)-2,6-di(propan-2-yl)purine
CID 176927044

Frequently Asked Questions

What is the IUPAC name of 2,6,8,9-tetra(propan-2-yl)purine?
The IUPAC name of 2,6,8,9-tetra(propan-2-yl)purine (CID 176767202) is 2,6,8,9-tetra(propan-2-yl)purine.
What is the SMILES notation for 2,6,8,9-tetra(propan-2-yl)purine?
The canonical SMILES for 2,6,8,9-tetra(propan-2-yl)purine is CC(C)c1nc(C(C)C)c2nc(C(C)C)n(C(C)C)c2n1.
What is the InChIKey of 2,6,8,9-tetra(propan-2-yl)purine?
The InChIKey is SKTMSBWOJMCFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-9(2)13-14-17(20-15(18-13)10(3)4)21(12(7)8)16(19-14)11(5)6/h9-12H,1-8H3.
What are the key properties of 2,6,8,9-tetra(propan-2-yl)purine?
2,6,8,9-tetra(propan-2-yl)purine has a molecular weight of 288.44 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8,9-tetra(propan-2-yl)purine is sourced from PubChem (CID 176767202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).