(7S,8aS)-2-(furan-3-ylmethyl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C16H20N4O2 — CID 98815769

IUPAC(7S,8aS)-2-(furan-3-ylmethyl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESc1ncc(O[C@H]2C[C@H]3CN(Cc4ccoc4)CCN3C2)cn1
InChIInChI=1S/C16H20N4O2/c1-4-21-11-13(1)8-19-2-3-20-10-15(5-14(20)9-19)22-16-6-17-12-18-7-16/h1,4,6-7,11-12,14-15H,2-3,5,8-10H2/t14-,15-/m0/s1
InChIKeyLVCGBEXZKVZYFX-GJZGRUSLSA-N
MW300.36 g/mol
LogP1.41
Rot. Bonds4

About (7S,8aS)-2-(furan-3-ylmethyl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

(7S,8aS)-2-(furan-3-ylmethyl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 98815769) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (7S,8aS)-2-(furan-3-ylmethyl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(7S,8aS)-2-(furan-3-ylmethyl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID98815769
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(7S,8aS)-2-(furan-3-ylmethyl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESc1ncc(O[C@H]2C[C@H]3CN(Cc4ccoc4)CCN3C2)cn1
InChIInChI=1S/C16H20N4O2/c1-4-21-11-13(1)8-19-2-3-20-10-15(5-14(20)9-19)22-16-6-17-12-18-7-16/h1,4,6-7,11-12,14-15H,2-3,5,8-10H2/t14-,15-/m0/s1
InChIKeyLVCGBEXZKVZYFX-GJZGRUSLSA-N
XLogP1.41
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7S,8aS)-2-(furan-3-ylmethyl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Related Compounds

(7R,8aS)-2-[(4-methoxyphenyl)methyl]-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124793670
7-(3-fluorophenoxy)-2-(furan-3-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 131663400
2-[(5-methylfuran-2-yl)methyl]-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 131657241
(7S,8aS)-2-(furan-3-ylmethyl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 97377941
2-[[(7R,8aR)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-1,3-thiazole
CID 124520148
(7S,8aR)-7-pyrimidin-5-yloxy-2-(thiophen-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155824639
2-[(5-methylthiophen-2-yl)methyl]-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155849898
(7R,8aR)-2-(furan-3-ylmethyl)-7-[(6-methyl-2-pyridinyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124520184
2-(pyridin-2-ylmethyl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 155863990
2-(furan-3-ylmethyl)-7-[(6-methyl-2-pyridinyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 171696824
1-(furan-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine
CID 45250487
[(7R,8aS)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-fluorophenyl)methanone
CID 98777099

Frequently Asked Questions

What is the IUPAC name of (7S,8aS)-2-(furan-3-ylmethyl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (7S,8aS)-2-(furan-3-ylmethyl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 98815769) is (7S,8aS)-2-(furan-3-ylmethyl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (7S,8aS)-2-(furan-3-ylmethyl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (7S,8aS)-2-(furan-3-ylmethyl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is c1ncc(O[C@H]2C[C@H]3CN(Cc4ccoc4)CCN3C2)cn1.
What is the InChIKey of (7S,8aS)-2-(furan-3-ylmethyl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is LVCGBEXZKVZYFX-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-4-21-11-13(1)8-19-2-3-20-10-15(5-14(20)9-19)22-16-6-17-12-18-7-16/h1,4,6-7,11-12,14-15H,2-3,5,8-10H2/t14-,15-/m0/s1.
What are the key properties of (7S,8aS)-2-(furan-3-ylmethyl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(7S,8aS)-2-(furan-3-ylmethyl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 300.36 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8aS)-2-(furan-3-ylmethyl)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 98815769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).