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

C15H21ClN4O — CID 82856688

IUPAC2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCc1c(Cl)nc(C(C)C)nc1N1CCN2C(=O)CCC2C1
InChIInChI=1S/C15H21ClN4O/c1-9(2)14-17-13(16)10(3)15(18-14)19-6-7-20-11(8-19)4-5-12(20)21/h9,11H,4-8H2,1-3H3
InChIKeyKUVXICLSKHRUET-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.37
Rot. Bonds2

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

2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82856688) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82856688
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCc1c(Cl)nc(C(C)C)nc1N1CCN2C(=O)CCC2C1
InChIInChI=1S/C15H21ClN4O/c1-9(2)14-17-13(16)10(3)15(18-14)19-6-7-20-11(8-19)4-5-12(20)21/h9,11H,4-8H2,1-3H3
InChIKeyKUVXICLSKHRUET-UHFFFAOYSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82856688) is 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is Cc1c(Cl)nc(C(C)C)nc1N1CCN2C(=O)CCC2C1.
What is the InChIKey of 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is KUVXICLSKHRUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-9(2)14-17-13(16)10(3)15(18-14)19-6-7-20-11(8-19)4-5-12(20)21/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 308.81 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82856688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).