(7R,8aS)-2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

C11H15FN4O — CID 15886074

IUPAC(7R,8aS)-2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESO[C@@H]1C[C@H]2CN(c3ncc(F)cn3)CCN2C1
InChIInChI=1S/C11H15FN4O/c12-8-4-13-11(14-5-8)16-2-1-15-7-10(17)3-9(15)6-16/h4-5,9-10,17H,1-3,6-7H2/t9-,10+/m0/s1
InChIKeyMUNPRJATIUVQNI-VHSXEESVSA-N
MW238.27 g/mol
LogP-0.13
Rot. Bonds1

About (7R,8aS)-2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

(7R,8aS)-2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (PubChem CID 15886074) has the molecular formula C11H15FN4O and a molecular weight of 238.27 g/mol. Its IUPAC name is (7R,8aS)-2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.

Molecular Properties

Compound Name(7R,8aS)-2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
PubChem CID15886074
Molecular FormulaC11H15FN4O
Molecular Weight238.27 g/mol
Exact Mass238.12
IUPAC Name(7R,8aS)-2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESO[C@@H]1C[C@H]2CN(c3ncc(F)cn3)CCN2C1
InChIInChI=1S/C11H15FN4O/c12-8-4-13-11(14-5-8)16-2-1-15-7-10(17)3-9(15)6-16/h4-5,9-10,17H,1-3,6-7H2/t9-,10+/m0/s1
InChIKeyMUNPRJATIUVQNI-VHSXEESVSA-N
XLogP-0.13
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R,8aS)-2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The IUPAC name of (7R,8aS)-2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (CID 15886074) is (7R,8aS)-2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.
What is the SMILES notation for (7R,8aS)-2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The canonical SMILES for (7R,8aS)-2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is O[C@@H]1C[C@H]2CN(c3ncc(F)cn3)CCN2C1.
What is the InChIKey of (7R,8aS)-2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The InChIKey is MUNPRJATIUVQNI-VHSXEESVSA-N. The full InChI is InChI=1S/C11H15FN4O/c12-8-4-13-11(14-5-8)16-2-1-15-7-10(17)3-9(15)6-16/h4-5,9-10,17H,1-3,6-7H2/t9-,10+/m0/s1.
What are the key properties of (7R,8aS)-2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
(7R,8aS)-2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol has a molecular weight of 238.27 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aS)-2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is sourced from PubChem (CID 15886074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).