2-amino-9-propyl-1,7-dihydropurine-6,8-dione

C8H11N5O2 — CID 137292242

IUPAC2-amino-9-propyl-1,7-dihydropurine-6,8-dione
SMILESCCCn1c(=O)[nH]c2c(=O)[nH]c(N)nc21
InChIInChI=1S/C8H11N5O2/c1-2-3-13-5-4(10-8(13)15)6(14)12-7(9)11-5/h2-3H2,1H3,(H,10,15)(H3,9,11,12,14)
InChIKeyIYKDOTCQMAFGMN-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.59
Rot. Bonds2

About 2-amino-9-propyl-1,7-dihydropurine-6,8-dione

2-amino-9-propyl-1,7-dihydropurine-6,8-dione (PubChem CID 137292242) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-amino-9-propyl-1,7-dihydropurine-6,8-dione.

Molecular Properties

Compound Name2-amino-9-propyl-1,7-dihydropurine-6,8-dione
PubChem CID137292242
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name2-amino-9-propyl-1,7-dihydropurine-6,8-dione
SMILESCCCn1c(=O)[nH]c2c(=O)[nH]c(N)nc21
InChIInChI=1S/C8H11N5O2/c1-2-3-13-5-4(10-8(13)15)6(14)12-7(9)11-5/h2-3H2,1H3,(H,10,15)(H3,9,11,12,14)
InChIKeyIYKDOTCQMAFGMN-UHFFFAOYSA-N
XLogP-0.59
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-9-propyl-1,7-dihydropurine-6,8-dione?
The IUPAC name of 2-amino-9-propyl-1,7-dihydropurine-6,8-dione (CID 137292242) is 2-amino-9-propyl-1,7-dihydropurine-6,8-dione.
What is the SMILES notation for 2-amino-9-propyl-1,7-dihydropurine-6,8-dione?
The canonical SMILES for 2-amino-9-propyl-1,7-dihydropurine-6,8-dione is CCCn1c(=O)[nH]c2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-9-propyl-1,7-dihydropurine-6,8-dione?
The InChIKey is IYKDOTCQMAFGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-2-3-13-5-4(10-8(13)15)6(14)12-7(9)11-5/h2-3H2,1H3,(H,10,15)(H3,9,11,12,14).
What are the key properties of 2-amino-9-propyl-1,7-dihydropurine-6,8-dione?
2-amino-9-propyl-1,7-dihydropurine-6,8-dione has a molecular weight of 209.21 g/mol, XLogP of -0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-propyl-1,7-dihydropurine-6,8-dione is sourced from PubChem (CID 137292242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).