2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one

C16H20N4O — CID 60917102

IUPAC2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(CN3CC4CNCC4C3)nc2c1
InChIInChI=1S/C16H20N4O/c1-11-2-3-20-15(4-11)18-14(5-16(20)21)10-19-8-12-6-17-7-13(12)9-19/h2-5,12-13,17H,6-10H2,1H3
InChIKeyIJUOAIKVVBUNAT-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.65
Rot. Bonds2

About 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one

2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 60917102) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID60917102
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(CN3CC4CNCC4C3)nc2c1
InChIInChI=1S/C16H20N4O/c1-11-2-3-20-15(4-11)18-14(5-16(20)21)10-19-8-12-6-17-7-13(12)9-19/h2-5,12-13,17H,6-10H2,1H3
InChIKeyIJUOAIKVVBUNAT-UHFFFAOYSA-N
XLogP0.65
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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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-ylmethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one (CID 60917102) is 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccn2c(=O)cc(CN3CC4CNCC4C3)nc2c1.
What is the InChIKey of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IJUOAIKVVBUNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-2-3-20-15(4-11)18-14(5-16(20)21)10-19-8-12-6-17-7-13(12)9-19/h2-5,12-13,17H,6-10H2,1H3.
What are the key properties of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one?
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 284.36 g/mol, XLogP of 0.65, 2 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-ylmethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60917102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).