2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methylpyrimidin-4-one

C11H16N4O — CID 139511856

IUPAC2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methylpyrimidin-4-one
SMILESCn1c(N2CC3CNCC3C2)nccc1=O
InChIInChI=1S/C11H16N4O/c1-14-10(16)2-3-13-11(14)15-6-8-4-12-5-9(8)7-15/h2-3,8-9,12H,4-7H2,1H3
InChIKeyFDHDPXFMMJGKBC-UHFFFAOYSA-N
MW220.28 g/mol
LogP-0.56
Rot. Bonds1

About 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methylpyrimidin-4-one

2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methylpyrimidin-4-one (PubChem CID 139511856) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methylpyrimidin-4-one
PubChem CID139511856
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methylpyrimidin-4-one
SMILESCn1c(N2CC3CNCC3C2)nccc1=O
InChIInChI=1S/C11H16N4O/c1-14-10(16)2-3-13-11(14)15-6-8-4-12-5-9(8)7-15/h2-3,8-9,12H,4-7H2,1H3
InChIKeyFDHDPXFMMJGKBC-UHFFFAOYSA-N
XLogP-0.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methylpyrimidin-4-one?
The IUPAC name of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methylpyrimidin-4-one (CID 139511856) is 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methylpyrimidin-4-one?
The canonical SMILES for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methylpyrimidin-4-one is Cn1c(N2CC3CNCC3C2)nccc1=O.
What is the InChIKey of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methylpyrimidin-4-one?
The InChIKey is FDHDPXFMMJGKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-14-10(16)2-3-13-11(14)15-6-8-4-12-5-9(8)7-15/h2-3,8-9,12H,4-7H2,1H3.
What are the key properties of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methylpyrimidin-4-one?
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methylpyrimidin-4-one has a molecular weight of 220.28 g/mol, XLogP of -0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-methylpyrimidin-4-one is sourced from PubChem (CID 139511856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).