[(7R,8aS)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methylpyrazin-2-yl)methanone

C17H20N6O2 — CID 97386263

IUPAC[(7R,8aS)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)cn1
InChIInChI=1S/C17H20N6O2/c1-12-5-21-16(8-20-12)17(24)23-3-2-22-10-14(4-13(22)9-23)25-15-6-18-11-19-7-15/h5-8,11,13-14H,2-4,9-10H2,1H3/t13-,14+/m0/s1
InChIKeyXYTGFYCDJKQQPB-UONOGXRCSA-N
MW340.39 g/mol
LogP0.55
Rot. Bonds3

About [(7R,8aS)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methylpyrazin-2-yl)methanone

[(7R,8aS)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 97386263) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is [(7R,8aS)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[(7R,8aS)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID97386263
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name[(7R,8aS)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)cn1
InChIInChI=1S/C17H20N6O2/c1-12-5-21-16(8-20-12)17(24)23-3-2-22-10-14(4-13(22)9-23)25-15-6-18-11-19-7-15/h5-8,11,13-14H,2-4,9-10H2,1H3/t13-,14+/m0/s1
InChIKeyXYTGFYCDJKQQPB-UONOGXRCSA-N
XLogP0.55
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(7R,8aS)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methylpyrazin-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(7R,8aS)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [(7R,8aS)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methylpyrazin-2-yl)methanone (CID 97386263) is [(7R,8aS)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [(7R,8aS)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [(7R,8aS)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)cn1.
What is the InChIKey of [(7R,8aS)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is XYTGFYCDJKQQPB-UONOGXRCSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-12-5-21-16(8-20-12)17(24)23-3-2-22-10-14(4-13(22)9-23)25-15-6-18-11-19-7-15/h5-8,11,13-14H,2-4,9-10H2,1H3/t13-,14+/m0/s1.
What are the key properties of [(7R,8aS)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methylpyrazin-2-yl)methanone?
[(7R,8aS)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 340.39 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R,8aS)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 97386263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).