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

C15H24N4O2 — CID 97386232

IUPAC(7R,8aS)-7-(2-methoxyethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCOCCO[C@@H]1C[C@H]2CN(c3ncc(C)cn3)CCN2C1
InChIInChI=1S/C15H24N4O2/c1-12-8-16-15(17-9-12)19-4-3-18-11-14(7-13(18)10-19)21-6-5-20-2/h8-9,13-14H,3-7,10-11H2,1-2H3/t13-,14+/m0/s1
InChIKeyQGNHJFPAZORGIU-UONOGXRCSA-N
MW292.38 g/mol
LogP0.71
Rot. Bonds5

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

(7R,8aS)-7-(2-methoxyethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 97386232) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (7R,8aS)-7-(2-methoxyethoxy)-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-(2-methoxyethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID97386232
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(7R,8aS)-7-(2-methoxyethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCOCCO[C@@H]1C[C@H]2CN(c3ncc(C)cn3)CCN2C1
InChIInChI=1S/C15H24N4O2/c1-12-8-16-15(17-9-12)19-4-3-18-11-14(7-13(18)10-19)21-6-5-20-2/h8-9,13-14H,3-7,10-11H2,1-2H3/t13-,14+/m0/s1
InChIKeyQGNHJFPAZORGIU-UONOGXRCSA-N
XLogP0.71
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(7R,8aR)-7-(2-methoxyethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 125192449
(7R,8aS)-7-(2-methoxyethoxy)-2-(pyridin-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 97458306
(7R,8aS)-7-(4-methylphenoxy)-2-pyrimidin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 98777110
(7R,8aS)-2-(5-fluoropyrimidin-2-yl)-7-(4-methylphenoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 127023010
(7R,8aS)-2-(6-methoxypyrimidin-4-yl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 97458330
2-(5-fluoropyrimidin-2-yl)-7-[(3-isocyanophenyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 20682336
(7R,8aS)-7-phenylmethoxy-2-pyrimidin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 171692852
2-[2-(methoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine
CID 176556495
(7R,8aS)-7-(cyclopropylmethoxy)-2-(6-methyl-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 97386240
2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-methylpyrimidine
CID 126947069
5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 104977378
3-(5-methylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 133403698

Frequently Asked Questions

What is the IUPAC name of (7R,8aS)-7-(2-methoxyethoxy)-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-(2-methoxyethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 97386232) is (7R,8aS)-7-(2-methoxyethoxy)-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-(2-methoxyethoxy)-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-(2-methoxyethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is COCCO[C@@H]1C[C@H]2CN(c3ncc(C)cn3)CCN2C1.
What is the InChIKey of (7R,8aS)-7-(2-methoxyethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is QGNHJFPAZORGIU-UONOGXRCSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12-8-16-15(17-9-12)19-4-3-18-11-14(7-13(18)10-19)21-6-5-20-2/h8-9,13-14H,3-7,10-11H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of (7R,8aS)-7-(2-methoxyethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(7R,8aS)-7-(2-methoxyethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 292.38 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aS)-7-(2-methoxyethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 97386232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).