2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C15H23ClN4 — CID 80978874

IUPAC2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCc1nc(Cl)c(C)c(N2CC3CCCN3CC2C)n1
InChIInChI=1S/C15H23ClN4/c1-4-13-17-14(16)11(3)15(18-13)20-9-12-6-5-7-19(12)8-10(20)2/h10,12H,4-9H2,1-3H3
InChIKeyGRYGJDQCCUDYML-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.67
Rot. Bonds2

About 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 80978874) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID80978874
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCc1nc(Cl)c(C)c(N2CC3CCCN3CC2C)n1
InChIInChI=1S/C15H23ClN4/c1-4-13-17-14(16)11(3)15(18-13)20-9-12-6-5-7-19(12)8-10(20)2/h10,12H,4-9H2,1-3H3
InChIKeyGRYGJDQCCUDYML-UHFFFAOYSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-ethyl-2,5-dimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-amine
CID 80838425
1-[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 80971751
N,2,5-trimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-amine
CID 80854791
2-(3-chloropyrazin-2-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925406
2-(2-chloro-5-fluoropyrimidin-4-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943298
4-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-ethyl-5-methylpyrimidine
CID 79237782
1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane
CID 80978841
2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862885
4-chloro-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3,5-triazin-2-amine
CID 80854716
4-chloro-6-(2,4-dimethylpiperidin-1-yl)-5-methyl-2-propylpyrimidine
CID 80971909
2-(5-chloro-2-methylphenyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939589
5,6-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridazine-4-carbothioamide
CID 79928245

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 80978874) is 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CCc1nc(Cl)c(C)c(N2CC3CCCN3CC2C)n1.
What is the InChIKey of 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is GRYGJDQCCUDYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c1-4-13-17-14(16)11(3)15(18-13)20-9-12-6-5-7-19(12)8-10(20)2/h10,12H,4-9H2,1-3H3.
What are the key properties of 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 294.83 g/mol, XLogP of 2.67, 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)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 80978874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).