1,2,3,6,7,8,9-heptamethyl-4,5,6,8-tetrahydro-2H-purine

C12H26N4 — CID 20675647

IUPAC1,2,3,6,7,8,9-heptamethyl-4,5,6,8-tetrahydro-2H-purine
SMILESCC1C2C(N(C)C(C)N1C)N(C)C(C)N2C
InChIInChI=1S/C12H26N4/c1-8-11-12(15(6)9(2)13(8)4)16(7)10(3)14(11)5/h8-12H,1-7H3
InChIKeyXZNFKCDCIQBXTK-UHFFFAOYSA-N
MW226.37 g/mol
LogP0.52
Rot. Bonds

About 1,2,3,6,7,8,9-heptamethyl-4,5,6,8-tetrahydro-2H-purine

1,2,3,6,7,8,9-heptamethyl-4,5,6,8-tetrahydro-2H-purine (PubChem CID 20675647) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 1,2,3,6,7,8,9-heptamethyl-4,5,6,8-tetrahydro-2H-purine.

Molecular Properties

Compound Name1,2,3,6,7,8,9-heptamethyl-4,5,6,8-tetrahydro-2H-purine
PubChem CID20675647
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name1,2,3,6,7,8,9-heptamethyl-4,5,6,8-tetrahydro-2H-purine
SMILESCC1C2C(N(C)C(C)N1C)N(C)C(C)N2C
InChIInChI=1S/C12H26N4/c1-8-11-12(15(6)9(2)13(8)4)16(7)10(3)14(11)5/h8-12H,1-7H3
InChIKeyXZNFKCDCIQBXTK-UHFFFAOYSA-N
XLogP0.52
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,6,7,8,9-heptamethyl-4,5,6,8-tetrahydro-2H-purine?
The IUPAC name of 1,2,3,6,7,8,9-heptamethyl-4,5,6,8-tetrahydro-2H-purine (CID 20675647) is 1,2,3,6,7,8,9-heptamethyl-4,5,6,8-tetrahydro-2H-purine.
What is the SMILES notation for 1,2,3,6,7,8,9-heptamethyl-4,5,6,8-tetrahydro-2H-purine?
The canonical SMILES for 1,2,3,6,7,8,9-heptamethyl-4,5,6,8-tetrahydro-2H-purine is CC1C2C(N(C)C(C)N1C)N(C)C(C)N2C.
What is the InChIKey of 1,2,3,6,7,8,9-heptamethyl-4,5,6,8-tetrahydro-2H-purine?
The InChIKey is XZNFKCDCIQBXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-8-11-12(15(6)9(2)13(8)4)16(7)10(3)14(11)5/h8-12H,1-7H3.
What are the key properties of 1,2,3,6,7,8,9-heptamethyl-4,5,6,8-tetrahydro-2H-purine?
1,2,3,6,7,8,9-heptamethyl-4,5,6,8-tetrahydro-2H-purine has a molecular weight of 226.37 g/mol, XLogP of 0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6,7,8,9-heptamethyl-4,5,6,8-tetrahydro-2H-purine is sourced from PubChem (CID 20675647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).