2-(2,6-diaminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

C11H17N5O — CID 113399583

IUPAC2-(2,6-diaminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESNc1cc(N2CC3CCC(O)C3C2)nc(N)n1
InChIInChI=1S/C11H17N5O/c12-9-3-10(15-11(13)14-9)16-4-6-1-2-8(17)7(6)5-16/h3,6-8,17H,1-2,4-5H2,(H4,12,13,14,15)
InChIKeyUETUTFCTKVCAIL-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.15
Rot. Bonds1

About 2-(2,6-diaminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

2-(2,6-diaminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 113399583) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(2,6-diaminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-(2,6-diaminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID113399583
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-(2,6-diaminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESNc1cc(N2CC3CCC(O)C3C2)nc(N)n1
InChIInChI=1S/C11H17N5O/c12-9-3-10(15-11(13)14-9)16-4-6-1-2-8(17)7(6)5-16/h3,6-8,17H,1-2,4-5H2,(H4,12,13,14,15)
InChIKeyUETUTFCTKVCAIL-UHFFFAOYSA-N
XLogP-0.15
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diaminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 2-(2,6-diaminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 113399583) is 2-(2,6-diaminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 2-(2,6-diaminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 2-(2,6-diaminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is Nc1cc(N2CC3CCC(O)C3C2)nc(N)n1.
What is the InChIKey of 2-(2,6-diaminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is UETUTFCTKVCAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c12-9-3-10(15-11(13)14-9)16-4-6-1-2-8(17)7(6)5-16/h3,6-8,17H,1-2,4-5H2,(H4,12,13,14,15).
What are the key properties of 2-(2,6-diaminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
2-(2,6-diaminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 235.29 g/mol, XLogP of -0.15, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diaminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 113399583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).