2-ethyl-7H-purin-6-amine

C7H9N5 — CID 19795383

IUPAC2-ethyl-7H-purin-6-amine
SMILESCCc1nc(N)c2[nH]cnc2n1
InChIInChI=1S/C7H9N5/c1-2-4-11-6(8)5-7(12-4)10-3-9-5/h3H,2H2,1H3,(H3,8,9,10,11,12)
InChIKeyBNKDQKJMJDGFGA-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.50
Rot. Bonds1

About 2-ethyl-7H-purin-6-amine

2-ethyl-7H-purin-6-amine (PubChem CID 19795383) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-ethyl-7H-purin-6-amine.

Molecular Properties

Compound Name2-ethyl-7H-purin-6-amine
PubChem CID19795383
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name2-ethyl-7H-purin-6-amine
SMILESCCc1nc(N)c2[nH]cnc2n1
InChIInChI=1S/C7H9N5/c1-2-4-11-6(8)5-7(12-4)10-3-9-5/h3H,2H2,1H3,(H3,8,9,10,11,12)
InChIKeyBNKDQKJMJDGFGA-UHFFFAOYSA-N
XLogP0.50
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-octyl-7H-purin-6-amine
CID 139890933
2-benzyl-7H-purin-6-amine
CID 15986830
2-(2,2,3,3,3-pentafluoropropyl)-7H-purin-6-amine
CID 87990472
(NZ)-N-[4-(6-amino-7H-purin-2-yl)butan-2-ylidene]hydroxylamine
CID 19762005
chloromercury;2-methoxy-7H-purin-6-amine
CID 69287233
2-[(6-amino-7H-purin-2-yl)methoxy]ethanol
CID 20566205
4-[(6-amino-7H-purin-2-yl)methyl]benzenethiol
CID 139889521
2-ethyl-6-propan-2-yloxy-7H-purine
CID 123998752
2-[(6-chloro-3-pyridinyl)methyl]-7H-purin-6-amine
CID 141058722
2-tert-butyl-7H-purin-6-amine
CID 21493394
2-[2-[(oxo-λ5-phosphanylidyne)methoxy]propyl]-7H-purin-6-amine
CID 153326115
2-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]-7H-purin-6-amine
CID 140539645

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7H-purin-6-amine?
The IUPAC name of 2-ethyl-7H-purin-6-amine (CID 19795383) is 2-ethyl-7H-purin-6-amine.
What is the SMILES notation for 2-ethyl-7H-purin-6-amine?
The canonical SMILES for 2-ethyl-7H-purin-6-amine is CCc1nc(N)c2[nH]cnc2n1.
What is the InChIKey of 2-ethyl-7H-purin-6-amine?
The InChIKey is BNKDQKJMJDGFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-2-4-11-6(8)5-7(12-4)10-3-9-5/h3H,2H2,1H3,(H3,8,9,10,11,12).
What are the key properties of 2-ethyl-7H-purin-6-amine?
2-ethyl-7H-purin-6-amine has a molecular weight of 163.18 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7H-purin-6-amine is sourced from PubChem (CID 19795383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).