(7R,8aR)-7-[(2-fluorophenyl)methoxy]-2-pyrimidin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C18H21FN4O — CID 125185199

IUPAC(7R,8aR)-7-[(2-fluorophenyl)methoxy]-2-pyrimidin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESFc1ccccc1CO[C@@H]1C[C@@H]2CN(c3ncccn3)CCN2C1
InChIInChI=1S/C18H21FN4O/c19-17-5-2-1-4-14(17)13-24-16-10-15-11-23(9-8-22(15)12-16)18-20-6-3-7-21-18/h1-7,15-16H,8-13H2/t15-,16-/m1/s1
InChIKeyOIUFFOQGOSDJHD-HZPDHXFCSA-N
MW328.39 g/mol
LogP2.10
Rot. Bonds4

About (7R,8aR)-7-[(2-fluorophenyl)methoxy]-2-pyrimidin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

(7R,8aR)-7-[(2-fluorophenyl)methoxy]-2-pyrimidin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 125185199) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is (7R,8aR)-7-[(2-fluorophenyl)methoxy]-2-pyrimidin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(7R,8aR)-7-[(2-fluorophenyl)methoxy]-2-pyrimidin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID125185199
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name(7R,8aR)-7-[(2-fluorophenyl)methoxy]-2-pyrimidin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESFc1ccccc1CO[C@@H]1C[C@@H]2CN(c3ncccn3)CCN2C1
InChIInChI=1S/C18H21FN4O/c19-17-5-2-1-4-14(17)13-24-16-10-15-11-23(9-8-22(15)12-16)18-20-6-3-7-21-18/h1-7,15-16H,8-13H2/t15-,16-/m1/s1
InChIKeyOIUFFOQGOSDJHD-HZPDHXFCSA-N
XLogP2.10
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7R,8aR)-7-[(2-fluorophenyl)methoxy]-2-pyrimidin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Related Compounds

(2R,3S,5R)-5-(2-cyclopropyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 72188905
1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-1-yl)-butan-1-ol
CID 10426775
(2R,3S,5R)-5-[2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 16725327
(2R,3S,5R)-5-(2-cyclopropyl-7,7-dimethyl-5H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-(2,5-difluorophenyl)oxan-3-amine
CID 73353757
2-[[(3S)-3-[(4-fluoro-3-methylphenyl)methoxy]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 168271806
1-[[(3S)-3-[(4-fluoro-3-methylphenyl)methoxy]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine
CID 168275962
2-[[(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 168277394
2-[[4-[(3-Fluorophenyl)methoxy]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 168279825
1-[[4-[(3-Fluorophenyl)methoxy]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine
CID 168291848
2-[[4-[(3,4-Difluorophenyl)methoxy]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 168294968
1-[[(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine
CID 168295019
2-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]pyrimidine
CID 137656684

Frequently Asked Questions

What is the IUPAC name of (7R,8aR)-7-[(2-fluorophenyl)methoxy]-2-pyrimidin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (7R,8aR)-7-[(2-fluorophenyl)methoxy]-2-pyrimidin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 125185199) is (7R,8aR)-7-[(2-fluorophenyl)methoxy]-2-pyrimidin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (7R,8aR)-7-[(2-fluorophenyl)methoxy]-2-pyrimidin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (7R,8aR)-7-[(2-fluorophenyl)methoxy]-2-pyrimidin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is Fc1ccccc1CO[C@@H]1C[C@@H]2CN(c3ncccn3)CCN2C1.
What is the InChIKey of (7R,8aR)-7-[(2-fluorophenyl)methoxy]-2-pyrimidin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is OIUFFOQGOSDJHD-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-17-5-2-1-4-14(17)13-24-16-10-15-11-23(9-8-22(15)12-16)18-20-6-3-7-21-18/h1-7,15-16H,8-13H2/t15-,16-/m1/s1.
What are the key properties of (7R,8aR)-7-[(2-fluorophenyl)methoxy]-2-pyrimidin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(7R,8aR)-7-[(2-fluorophenyl)methoxy]-2-pyrimidin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 328.39 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aR)-7-[(2-fluorophenyl)methoxy]-2-pyrimidin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 125185199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).