N,1,2,8-tetramethyl-7H-purin-6-imine

C9H13N5 — CID 136659879

IUPACN,1,2,8-tetramethyl-7H-purin-6-imine
SMILESC/N=c1/c2[nH]c(C)nc2nc(C)n1C
InChIInChI=1S/C9H13N5/c1-5-11-7-8(12-5)13-6(2)14(4)9(7)10-3/h1-4H3,(H,11,12)/b10-9-
InChIKeyREUMBYJKIKTVNE-KTKRTIGZSA-N
MW191.24 g/mol
LogP0.44
Rot. Bonds

About N,1,2,8-tetramethyl-7H-purin-6-imine

N,1,2,8-tetramethyl-7H-purin-6-imine (PubChem CID 136659879) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is N,1,2,8-tetramethyl-7H-purin-6-imine.

Molecular Properties

Compound NameN,1,2,8-tetramethyl-7H-purin-6-imine
PubChem CID136659879
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC NameN,1,2,8-tetramethyl-7H-purin-6-imine
SMILESC/N=c1/c2[nH]c(C)nc2nc(C)n1C
InChIInChI=1S/C9H13N5/c1-5-11-7-8(12-5)13-6(2)14(4)9(7)10-3/h1-4H3,(H,11,12)/b10-9-
InChIKeyREUMBYJKIKTVNE-KTKRTIGZSA-N
XLogP0.44
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1,2,8-tetramethyl-7H-purin-6-imine?
The IUPAC name of N,1,2,8-tetramethyl-7H-purin-6-imine (CID 136659879) is N,1,2,8-tetramethyl-7H-purin-6-imine.
What is the SMILES notation for N,1,2,8-tetramethyl-7H-purin-6-imine?
The canonical SMILES for N,1,2,8-tetramethyl-7H-purin-6-imine is C/N=c1/c2[nH]c(C)nc2nc(C)n1C.
What is the InChIKey of N,1,2,8-tetramethyl-7H-purin-6-imine?
The InChIKey is REUMBYJKIKTVNE-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H13N5/c1-5-11-7-8(12-5)13-6(2)14(4)9(7)10-3/h1-4H3,(H,11,12)/b10-9-.
What are the key properties of N,1,2,8-tetramethyl-7H-purin-6-imine?
N,1,2,8-tetramethyl-7H-purin-6-imine has a molecular weight of 191.24 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,2,8-tetramethyl-7H-purin-6-imine is sourced from PubChem (CID 136659879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).