1-ethyl-6,7-dihydropurin-6-amine

C7H11N5 — CID 57484886

IUPAC1-ethyl-6,7-dihydropurin-6-amine
SMILESCCN1C=Nc2nc[nH]c2C1N
InChIInChI=1S/C7H11N5/c1-2-12-4-11-7-5(6(12)8)9-3-10-7/h3-4,6H,2,8H2,1H3,(H,9,10)
InChIKeyUHWPWOCPNRYNGD-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.36
Rot. Bonds1

About 1-ethyl-6,7-dihydropurin-6-amine

1-ethyl-6,7-dihydropurin-6-amine (PubChem CID 57484886) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-ethyl-6,7-dihydropurin-6-amine.

Molecular Properties

Compound Name1-ethyl-6,7-dihydropurin-6-amine
PubChem CID57484886
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name1-ethyl-6,7-dihydropurin-6-amine
SMILESCCN1C=Nc2nc[nH]c2C1N
InChIInChI=1S/C7H11N5/c1-2-12-4-11-7-5(6(12)8)9-3-10-7/h3-4,6H,2,8H2,1H3,(H,9,10)
InChIKeyUHWPWOCPNRYNGD-UHFFFAOYSA-N
XLogP0.36
TPSA70.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Mercaptopurine
CID 667490
Thioguanine
CID 2723601
3-Methyladenine
CID 135398661
3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine
CID 135438588
1,9-Dihydro-9-(1-methylethyl)-6H-purine-6-thione
CID 3034512
9-Ethyl-6-mercaptopurine
CID 3032484
1-Methylthioguanine
CID 3032391
1-Methyl-6-thiopurine
CID 3614737
1-Methyladenine
CID 135398646
alpha-Sarcin (Aspergillus giganteus)
CID 165365722
9-(n-Butyl)-6-mercaptopurine
CID 3034171
4,5-Dimethyl-1H-imidazole
CID 75306

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6,7-dihydropurin-6-amine?
The IUPAC name of 1-ethyl-6,7-dihydropurin-6-amine (CID 57484886) is 1-ethyl-6,7-dihydropurin-6-amine.
What is the SMILES notation for 1-ethyl-6,7-dihydropurin-6-amine?
The canonical SMILES for 1-ethyl-6,7-dihydropurin-6-amine is CCN1C=Nc2nc[nH]c2C1N.
What is the InChIKey of 1-ethyl-6,7-dihydropurin-6-amine?
The InChIKey is UHWPWOCPNRYNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c1-2-12-4-11-7-5(6(12)8)9-3-10-7/h3-4,6H,2,8H2,1H3,(H,9,10).
What are the key properties of 1-ethyl-6,7-dihydropurin-6-amine?
1-ethyl-6,7-dihydropurin-6-amine has a molecular weight of 165.20 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6,7-dihydropurin-6-amine is sourced from PubChem (CID 57484886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).