6-imino-N,N,1-trimethyl-7H-purin-8-amine

C8H12N6 — CID 135818227

IUPAC6-imino-N,N,1-trimethyl-7H-purin-8-amine
SMILES[H]/N=c1/c2[nH]c(N(C)C)nc2ncn1C
InChIInChI=1S/C8H12N6/c1-13(2)8-11-5-6(9)14(3)4-10-7(5)12-8/h4,9H,1-3H3,(H,11,12)/b9-6-
InChIKeyCZOWWGQVHVDQOF-TWGQIWQCSA-N
MW192.23 g/mol
LogP-0.16
Rot. Bonds1

About 6-imino-N,N,1-trimethyl-7H-purin-8-amine

6-imino-N,N,1-trimethyl-7H-purin-8-amine (PubChem CID 135818227) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 6-imino-N,N,1-trimethyl-7H-purin-8-amine.

Molecular Properties

Compound Name6-imino-N,N,1-trimethyl-7H-purin-8-amine
PubChem CID135818227
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name6-imino-N,N,1-trimethyl-7H-purin-8-amine
SMILES[H]/N=c1/c2[nH]c(N(C)C)nc2ncn1C
InChIInChI=1S/C8H12N6/c1-13(2)8-11-5-6(9)14(3)4-10-7(5)12-8/h4,9H,1-3H3,(H,11,12)/b9-6-
InChIKeyCZOWWGQVHVDQOF-TWGQIWQCSA-N
XLogP-0.16
TPSA73.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyladenine
CID 135398661
1-Methylthioguanine
CID 3032391
3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine
CID 135438588
1-Methyl-6-thiopurine
CID 3614737
3-Propyladenine
CID 135435068
1-Methyladenine
CID 135398646
3-Butyladenine
CID 135435069
Adenine, 1-oxide
CID 135407691
3-Ethyladenine
CID 135435067
3H-Purin-6-amine, 3-pentyl-
CID 135435070
1-Ethyladenine
CID 135398554
3-methyl-7H-purine-6-thione
CID 4312973

Frequently Asked Questions

What is the IUPAC name of 6-imino-N,N,1-trimethyl-7H-purin-8-amine?
The IUPAC name of 6-imino-N,N,1-trimethyl-7H-purin-8-amine (CID 135818227) is 6-imino-N,N,1-trimethyl-7H-purin-8-amine.
What is the SMILES notation for 6-imino-N,N,1-trimethyl-7H-purin-8-amine?
The canonical SMILES for 6-imino-N,N,1-trimethyl-7H-purin-8-amine is [H]/N=c1/c2[nH]c(N(C)C)nc2ncn1C.
What is the InChIKey of 6-imino-N,N,1-trimethyl-7H-purin-8-amine?
The InChIKey is CZOWWGQVHVDQOF-TWGQIWQCSA-N. The full InChI is InChI=1S/C8H12N6/c1-13(2)8-11-5-6(9)14(3)4-10-7(5)12-8/h4,9H,1-3H3,(H,11,12)/b9-6-.
What are the key properties of 6-imino-N,N,1-trimethyl-7H-purin-8-amine?
6-imino-N,N,1-trimethyl-7H-purin-8-amine has a molecular weight of 192.23 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-N,N,1-trimethyl-7H-purin-8-amine is sourced from PubChem (CID 135818227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).