2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C14H19ClN4O — CID 82862885

IUPAC2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCCc1nc(Cl)c(C)c(N2CCN3C(=O)CCC3C2)n1
InChIInChI=1S/C14H19ClN4O/c1-3-11-16-13(15)9(2)14(17-11)18-6-7-19-10(8-18)4-5-12(19)20/h10H,3-8H2,1-2H3
InChIKeyOAXSQNJSGNTGCN-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.81
Rot. Bonds2

About 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82862885) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82862885
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCCc1nc(Cl)c(C)c(N2CCN3C(=O)CCC3C2)n1
InChIInChI=1S/C14H19ClN4O/c1-3-11-16-13(15)9(2)14(17-11)18-6-7-19-10(8-18)4-5-12(19)20/h10H,3-8H2,1-2H3
InChIKeyOAXSQNJSGNTGCN-UHFFFAOYSA-N
XLogP1.81
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82862885) is 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is CCc1nc(Cl)c(C)c(N2CCN3C(=O)CCC3C2)n1.
What is the InChIKey of 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is OAXSQNJSGNTGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-3-11-16-13(15)9(2)14(17-11)18-6-7-19-10(8-18)4-5-12(19)20/h10H,3-8H2,1-2H3.
What are the key properties of 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 294.79 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82862885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).