(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C19H25N5O — CID 97386270

IUPAC(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCc1cnc(N2CCN3C[C@H](OCc4cccc(C)n4)C[C@H]3C2)nc1
InChIInChI=1S/C19H25N5O/c1-14-9-20-19(21-10-14)24-7-6-23-12-18(8-17(23)11-24)25-13-16-5-3-4-15(2)22-16/h3-5,9-10,17-18H,6-8,11-13H2,1-2H3/t17-,18+/m0/s1
InChIKeyWRPKASMFZYILJI-ZWKOTPCHSA-N
MW339.44 g/mol
LogP1.97
Rot. Bonds4

About (7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 97386270) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID97386270
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCc1cnc(N2CCN3C[C@H](OCc4cccc(C)n4)C[C@H]3C2)nc1
InChIInChI=1S/C19H25N5O/c1-14-9-20-19(21-10-14)24-7-6-23-12-18(8-17(23)11-24)25-13-16-5-3-4-15(2)22-16/h3-5,9-10,17-18H,6-8,11-13H2,1-2H3/t17-,18+/m0/s1
InChIKeyWRPKASMFZYILJI-ZWKOTPCHSA-N
XLogP1.97
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 97386270) is (7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is Cc1cnc(N2CCN3C[C@H](OCc4cccc(C)n4)C[C@H]3C2)nc1.
What is the InChIKey of (7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is WRPKASMFZYILJI-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-9-20-19(21-10-14)24-7-6-23-12-18(8-17(23)11-24)25-13-16-5-3-4-15(2)22-16/h3-5,9-10,17-18H,6-8,11-13H2,1-2H3/t17-,18+/m0/s1.
What are the key properties of (7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 339.44 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 97386270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).