2-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C14H21N5O — CID 82862622

IUPAC2-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCCNc1nc(C)cc(N2CCN3C(=O)CCC3C2)n1
InChIInChI=1S/C14H21N5O/c1-3-15-14-16-10(2)8-12(17-14)18-6-7-19-11(9-18)4-5-13(19)20/h8,11H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyFOZOUVYLXZGOJA-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.03
Rot. Bonds3

About 2-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82862622) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82862622
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCCNc1nc(C)cc(N2CCN3C(=O)CCC3C2)n1
InChIInChI=1S/C14H21N5O/c1-3-15-14-16-10(2)8-12(17-14)18-6-7-19-11(9-18)4-5-13(19)20/h8,11H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyFOZOUVYLXZGOJA-UHFFFAOYSA-N
XLogP1.03
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82862622) is 2-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is CCNc1nc(C)cc(N2CCN3C(=O)CCC3C2)n1.
What is the InChIKey of 2-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is FOZOUVYLXZGOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-15-14-16-10(2)8-12(17-14)18-6-7-19-11(9-18)4-5-13(19)20/h8,11H,3-7,9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 275.36 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82862622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).