4,5-diamino-2-piperidin-1-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one

C11H16N6O — CID 57452372

IUPAC4,5-diamino-2-piperidin-1-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one
SMILESNc1nc(N2CCCCC2)nc2c1C(N)NC2=O
InChIInChI=1S/C11H16N6O/c12-8-6-7(10(18)15-8)14-11(16-9(6)13)17-4-2-1-3-5-17/h8H,1-5,12H2,(H,15,18)(H2,13,14,16)
InChIKeyCILOPAVUGCWMJS-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.25
Rot. Bonds1

About 4,5-diamino-2-piperidin-1-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one

4,5-diamino-2-piperidin-1-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one (PubChem CID 57452372) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 4,5-diamino-2-piperidin-1-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name4,5-diamino-2-piperidin-1-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one
PubChem CID57452372
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name4,5-diamino-2-piperidin-1-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one
SMILESNc1nc(N2CCCCC2)nc2c1C(N)NC2=O
InChIInChI=1S/C11H16N6O/c12-8-6-7(10(18)15-8)14-11(16-9(6)13)17-4-2-1-3-5-17/h8H,1-5,12H2,(H,15,18)(H2,13,14,16)
InChIKeyCILOPAVUGCWMJS-UHFFFAOYSA-N
XLogP-0.25
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-2-piperidin-1-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one?
The IUPAC name of 4,5-diamino-2-piperidin-1-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one (CID 57452372) is 4,5-diamino-2-piperidin-1-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one.
What is the SMILES notation for 4,5-diamino-2-piperidin-1-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one?
The canonical SMILES for 4,5-diamino-2-piperidin-1-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one is Nc1nc(N2CCCCC2)nc2c1C(N)NC2=O.
What is the InChIKey of 4,5-diamino-2-piperidin-1-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one?
The InChIKey is CILOPAVUGCWMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c12-8-6-7(10(18)15-8)14-11(16-9(6)13)17-4-2-1-3-5-17/h8H,1-5,12H2,(H,15,18)(H2,13,14,16).
What are the key properties of 4,5-diamino-2-piperidin-1-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one?
4,5-diamino-2-piperidin-1-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one has a molecular weight of 248.29 g/mol, XLogP of -0.25, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-2-piperidin-1-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one is sourced from PubChem (CID 57452372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).