2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C13H19N5O — CID 82863191

IUPAC2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCc1cc(N)nc(CN2CCN3C(=O)CCC3C2)n1
InChIInChI=1S/C13H19N5O/c1-9-6-11(14)16-12(15-9)8-17-4-5-18-10(7-17)2-3-13(18)19/h6,10H,2-5,7-8H2,1H3,(H2,14,15,16)
InChIKeyDQKLKNBSXVLBGB-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.17
Rot. Bonds2

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

2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82863191) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82863191
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCc1cc(N)nc(CN2CCN3C(=O)CCC3C2)n1
InChIInChI=1S/C13H19N5O/c1-9-6-11(14)16-12(15-9)8-17-4-5-18-10(7-17)2-3-13(18)19/h6,10H,2-5,7-8H2,1H3,(H2,14,15,16)
InChIKeyDQKLKNBSXVLBGB-UHFFFAOYSA-N
XLogP0.17
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82863191) is 2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is Cc1cc(N)nc(CN2CCN3C(=O)CCC3C2)n1.
What is the InChIKey of 2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is DQKLKNBSXVLBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9-6-11(14)16-12(15-9)8-17-4-5-18-10(7-17)2-3-13(18)19/h6,10H,2-5,7-8H2,1H3,(H2,14,15,16).
What are the key properties of 2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 261.33 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82863191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).