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

C12H17N5O — CID 82863201

IUPAC2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCNc1cc(N2CCN3C(=O)CCC3C2)ncn1
InChIInChI=1S/C12H17N5O/c1-13-10-6-11(15-8-14-10)16-4-5-17-9(7-16)2-3-12(17)18/h6,8-9H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyUFKNFPFVIODYMT-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.33
Rot. Bonds2

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

2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82863201) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82863201
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCNc1cc(N2CCN3C(=O)CCC3C2)ncn1
InChIInChI=1S/C12H17N5O/c1-13-10-6-11(15-8-14-10)16-4-5-17-9(7-16)2-3-12(17)18/h6,8-9H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyUFKNFPFVIODYMT-UHFFFAOYSA-N
XLogP0.33
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82863201) is 2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is CNc1cc(N2CCN3C(=O)CCC3C2)ncn1.
What is the InChIKey of 2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is UFKNFPFVIODYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-13-10-6-11(15-8-14-10)16-4-5-17-9(7-16)2-3-12(17)18/h6,8-9H,2-5,7H2,1H3,(H,13,14,15).
What are the key properties of 2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 247.30 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82863201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).