5-[[2-(methylamino)-7H-purin-6-yl]amino]piperidin-2-one

C11H15N7O — CID 114785220

IUPAC5-[[2-(methylamino)-7H-purin-6-yl]amino]piperidin-2-one
SMILESCNc1nc(NC2CCC(=O)NC2)c2[nH]cnc2n1
InChIInChI=1S/C11H15N7O/c1-12-11-17-9-8(14-5-15-9)10(18-11)16-6-2-3-7(19)13-4-6/h5-6H,2-4H2,1H3,(H,13,19)(H3,12,14,15,16,17,18)
InChIKeyPQEZBEAVHAMFFE-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.09
Rot. Bonds3

About 5-[[2-(methylamino)-7H-purin-6-yl]amino]piperidin-2-one

5-[[2-(methylamino)-7H-purin-6-yl]amino]piperidin-2-one (PubChem CID 114785220) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 5-[[2-(methylamino)-7H-purin-6-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name5-[[2-(methylamino)-7H-purin-6-yl]amino]piperidin-2-one
PubChem CID114785220
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name5-[[2-(methylamino)-7H-purin-6-yl]amino]piperidin-2-one
SMILESCNc1nc(NC2CCC(=O)NC2)c2[nH]cnc2n1
InChIInChI=1S/C11H15N7O/c1-12-11-17-9-8(14-5-15-9)10(18-11)16-6-2-3-7(19)13-4-6/h5-6H,2-4H2,1H3,(H,13,19)(H3,12,14,15,16,17,18)
InChIKeyPQEZBEAVHAMFFE-UHFFFAOYSA-N
XLogP0.09
TPSA107.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(methylamino)-7H-purin-6-yl]amino]piperidin-2-one?
The IUPAC name of 5-[[2-(methylamino)-7H-purin-6-yl]amino]piperidin-2-one (CID 114785220) is 5-[[2-(methylamino)-7H-purin-6-yl]amino]piperidin-2-one.
What is the SMILES notation for 5-[[2-(methylamino)-7H-purin-6-yl]amino]piperidin-2-one?
The canonical SMILES for 5-[[2-(methylamino)-7H-purin-6-yl]amino]piperidin-2-one is CNc1nc(NC2CCC(=O)NC2)c2[nH]cnc2n1.
What is the InChIKey of 5-[[2-(methylamino)-7H-purin-6-yl]amino]piperidin-2-one?
The InChIKey is PQEZBEAVHAMFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c1-12-11-17-9-8(14-5-15-9)10(18-11)16-6-2-3-7(19)13-4-6/h5-6H,2-4H2,1H3,(H,13,19)(H3,12,14,15,16,17,18).
What are the key properties of 5-[[2-(methylamino)-7H-purin-6-yl]amino]piperidin-2-one?
5-[[2-(methylamino)-7H-purin-6-yl]amino]piperidin-2-one has a molecular weight of 261.29 g/mol, XLogP of 0.09, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(methylamino)-7H-purin-6-yl]amino]piperidin-2-one is sourced from PubChem (CID 114785220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).