8-(piperidin-1-ylamino)-3,7-dihydropurine-2,6-dione

C10H14N6O2 — CID 67902561

IUPAC8-(piperidin-1-ylamino)-3,7-dihydropurine-2,6-dione
SMILESO=c1[nH]c(=O)c2[nH]c(NN3CCCCC3)nc2[nH]1
InChIInChI=1S/C10H14N6O2/c17-8-6-7(13-10(18)14-8)12-9(11-6)15-16-4-2-1-3-5-16/h1-5H2,(H4,11,12,13,14,15,17,18)
InChIKeyBIXPVMGMGJHDSI-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.25
Rot. Bonds2

About 8-(piperidin-1-ylamino)-3,7-dihydropurine-2,6-dione

8-(piperidin-1-ylamino)-3,7-dihydropurine-2,6-dione (PubChem CID 67902561) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 8-(piperidin-1-ylamino)-3,7-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-(piperidin-1-ylamino)-3,7-dihydropurine-2,6-dione
PubChem CID67902561
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name8-(piperidin-1-ylamino)-3,7-dihydropurine-2,6-dione
SMILESO=c1[nH]c(=O)c2[nH]c(NN3CCCCC3)nc2[nH]1
InChIInChI=1S/C10H14N6O2/c17-8-6-7(13-10(18)14-8)12-9(11-6)15-16-4-2-1-3-5-16/h1-5H2,(H4,11,12,13,14,15,17,18)
InChIKeyBIXPVMGMGJHDSI-UHFFFAOYSA-N
XLogP-0.25
TPSA109.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(piperidin-1-ylamino)-3,7-dihydropurine-2,6-dione?
The IUPAC name of 8-(piperidin-1-ylamino)-3,7-dihydropurine-2,6-dione (CID 67902561) is 8-(piperidin-1-ylamino)-3,7-dihydropurine-2,6-dione.
What is the SMILES notation for 8-(piperidin-1-ylamino)-3,7-dihydropurine-2,6-dione?
The canonical SMILES for 8-(piperidin-1-ylamino)-3,7-dihydropurine-2,6-dione is O=c1[nH]c(=O)c2[nH]c(NN3CCCCC3)nc2[nH]1.
What is the InChIKey of 8-(piperidin-1-ylamino)-3,7-dihydropurine-2,6-dione?
The InChIKey is BIXPVMGMGJHDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c17-8-6-7(13-10(18)14-8)12-9(11-6)15-16-4-2-1-3-5-16/h1-5H2,(H4,11,12,13,14,15,17,18).
What are the key properties of 8-(piperidin-1-ylamino)-3,7-dihydropurine-2,6-dione?
8-(piperidin-1-ylamino)-3,7-dihydropurine-2,6-dione has a molecular weight of 250.26 g/mol, XLogP of -0.25, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(piperidin-1-ylamino)-3,7-dihydropurine-2,6-dione is sourced from PubChem (CID 67902561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).