2-[6-(methylamino)-5-propylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C15H23N5O — CID 82858809

IUPAC2-[6-(methylamino)-5-propylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCCCc1c(NC)ncnc1N1CCN2C(=O)CCC2C1
InChIInChI=1S/C15H23N5O/c1-3-4-12-14(16-2)17-10-18-15(12)19-7-8-20-11(9-19)5-6-13(20)21/h10-11H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyNAUQGUFZKNMAHM-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.28
Rot. Bonds4

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

2-[6-(methylamino)-5-propylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82858809) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[6-(methylamino)-5-propylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[6-(methylamino)-5-propylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82858809
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-[6-(methylamino)-5-propylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCCCc1c(NC)ncnc1N1CCN2C(=O)CCC2C1
InChIInChI=1S/C15H23N5O/c1-3-4-12-14(16-2)17-10-18-15(12)19-7-8-20-11(9-19)5-6-13(20)21/h10-11H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyNAUQGUFZKNMAHM-UHFFFAOYSA-N
XLogP1.28
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(methylamino)-5-propylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[6-(methylamino)-5-propylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82858809) is 2-[6-(methylamino)-5-propylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[6-(methylamino)-5-propylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[6-(methylamino)-5-propylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is CCCc1c(NC)ncnc1N1CCN2C(=O)CCC2C1.
What is the InChIKey of 2-[6-(methylamino)-5-propylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is NAUQGUFZKNMAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-3-4-12-14(16-2)17-10-18-15(12)19-7-8-20-11(9-19)5-6-13(20)21/h10-11H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[6-(methylamino)-5-propylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-[6-(methylamino)-5-propylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 289.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methylamino)-5-propylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82858809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).