(3aS,6R,6aR)-1-(6-aminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-ol

C11H16N4O — CID 166260486

IUPAC(3aS,6R,6aR)-1-(6-aminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-ol
SMILESNc1cc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)ncn1
InChIInChI=1S/C11H16N4O/c12-9-5-10(14-6-13-9)15-4-3-7-1-2-8(16)11(7)15/h5-8,11,16H,1-4H2,(H2,12,13,14)/t7-,8+,11+/m0/s1
InChIKeyVHYCHUFTSFNJID-VAOFZXAKSA-N
MW220.28 g/mol
LogP0.41
Rot. Bonds1

About (3aS,6R,6aR)-1-(6-aminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-ol

(3aS,6R,6aR)-1-(6-aminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-ol (PubChem CID 166260486) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is (3aS,6R,6aR)-1-(6-aminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-ol.

Molecular Properties

Compound Name(3aS,6R,6aR)-1-(6-aminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-ol
PubChem CID166260486
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name(3aS,6R,6aR)-1-(6-aminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-ol
SMILESNc1cc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)ncn1
InChIInChI=1S/C11H16N4O/c12-9-5-10(14-6-13-9)15-4-3-7-1-2-8(16)11(7)15/h5-8,11,16H,1-4H2,(H2,12,13,14)/t7-,8+,11+/m0/s1
InChIKeyVHYCHUFTSFNJID-VAOFZXAKSA-N
XLogP0.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3aS,6R,6aR)-1-(6-aminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,6R,6aR)-1-(6-aminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-ol?
The IUPAC name of (3aS,6R,6aR)-1-(6-aminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-ol (CID 166260486) is (3aS,6R,6aR)-1-(6-aminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-ol.
What is the SMILES notation for (3aS,6R,6aR)-1-(6-aminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-ol?
The canonical SMILES for (3aS,6R,6aR)-1-(6-aminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-ol is Nc1cc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)ncn1.
What is the InChIKey of (3aS,6R,6aR)-1-(6-aminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-ol?
The InChIKey is VHYCHUFTSFNJID-VAOFZXAKSA-N. The full InChI is InChI=1S/C11H16N4O/c12-9-5-10(14-6-13-9)15-4-3-7-1-2-8(16)11(7)15/h5-8,11,16H,1-4H2,(H2,12,13,14)/t7-,8+,11+/m0/s1.
What are the key properties of (3aS,6R,6aR)-1-(6-aminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-ol?
(3aS,6R,6aR)-1-(6-aminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-ol has a molecular weight of 220.28 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6R,6aR)-1-(6-aminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-ol is sourced from PubChem (CID 166260486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).