8-ethyl-7-prop-2-enylpurin-6-amine

C10H13N5 — CID 101403491

IUPAC8-ethyl-7-prop-2-enylpurin-6-amine
SMILESC=CCn1c(CC)nc2ncnc(N)c21
InChIInChI=1S/C10H13N5/c1-3-5-15-7(4-2)14-10-8(15)9(11)12-6-13-10/h3,6H,1,4-5H2,2H3,(H2,11,12,13)
InChIKeySYHYIVCPBCFWLD-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.16
Rot. Bonds3

About 8-ethyl-7-prop-2-enylpurin-6-amine

8-ethyl-7-prop-2-enylpurin-6-amine (PubChem CID 101403491) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 8-ethyl-7-prop-2-enylpurin-6-amine.

Molecular Properties

Compound Name8-ethyl-7-prop-2-enylpurin-6-amine
PubChem CID101403491
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name8-ethyl-7-prop-2-enylpurin-6-amine
SMILESC=CCn1c(CC)nc2ncnc(N)c21
InChIInChI=1S/C10H13N5/c1-3-5-15-7(4-2)14-10-8(15)9(11)12-6-13-10/h3,6H,1,4-5H2,2H3,(H2,11,12,13)
InChIKeySYHYIVCPBCFWLD-UHFFFAOYSA-N
XLogP1.16
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-7-prop-2-enylpurin-6-amine?
The IUPAC name of 8-ethyl-7-prop-2-enylpurin-6-amine (CID 101403491) is 8-ethyl-7-prop-2-enylpurin-6-amine.
What is the SMILES notation for 8-ethyl-7-prop-2-enylpurin-6-amine?
The canonical SMILES for 8-ethyl-7-prop-2-enylpurin-6-amine is C=CCn1c(CC)nc2ncnc(N)c21.
What is the InChIKey of 8-ethyl-7-prop-2-enylpurin-6-amine?
The InChIKey is SYHYIVCPBCFWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-3-5-15-7(4-2)14-10-8(15)9(11)12-6-13-10/h3,6H,1,4-5H2,2H3,(H2,11,12,13).
What are the key properties of 8-ethyl-7-prop-2-enylpurin-6-amine?
8-ethyl-7-prop-2-enylpurin-6-amine has a molecular weight of 203.25 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-7-prop-2-enylpurin-6-amine is sourced from PubChem (CID 101403491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).