8-(2-fluoro-6-methylbenzoyl)-2-(pyrrolidin-1-ylmethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one

C20H23FN4O2 — CID 131691890

IUPAC8-(2-fluoro-6-methylbenzoyl)-2-(pyrrolidin-1-ylmethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one
SMILESCc1cccc(F)c1C(=O)N1CCn2c(nc(CN3CCCC3)cc2=O)C1
InChIInChI=1S/C20H23FN4O2/c1-14-5-4-6-16(21)19(14)20(27)24-9-10-25-17(13-24)22-15(11-18(25)26)12-23-7-2-3-8-23/h4-6,11H,2-3,7-10,12-13H2,1H3
InChIKeyXONPUPVQIWXHLD-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.94
Rot. Bonds3

About 8-(2-fluoro-6-methylbenzoyl)-2-(pyrrolidin-1-ylmethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one

8-(2-fluoro-6-methylbenzoyl)-2-(pyrrolidin-1-ylmethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one (PubChem CID 131691890) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 8-(2-fluoro-6-methylbenzoyl)-2-(pyrrolidin-1-ylmethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-(2-fluoro-6-methylbenzoyl)-2-(pyrrolidin-1-ylmethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one
PubChem CID131691890
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name8-(2-fluoro-6-methylbenzoyl)-2-(pyrrolidin-1-ylmethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one
SMILESCc1cccc(F)c1C(=O)N1CCn2c(nc(CN3CCCC3)cc2=O)C1
InChIInChI=1S/C20H23FN4O2/c1-14-5-4-6-16(21)19(14)20(27)24-9-10-25-17(13-24)22-15(11-18(25)26)12-23-7-2-3-8-23/h4-6,11H,2-3,7-10,12-13H2,1H3
InChIKeyXONPUPVQIWXHLD-UHFFFAOYSA-N
XLogP1.94
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoro-6-methylbenzoyl)-2-(pyrrolidin-1-ylmethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-(2-fluoro-6-methylbenzoyl)-2-(pyrrolidin-1-ylmethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one (CID 131691890) is 8-(2-fluoro-6-methylbenzoyl)-2-(pyrrolidin-1-ylmethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-(2-fluoro-6-methylbenzoyl)-2-(pyrrolidin-1-ylmethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-(2-fluoro-6-methylbenzoyl)-2-(pyrrolidin-1-ylmethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one is Cc1cccc(F)c1C(=O)N1CCn2c(nc(CN3CCCC3)cc2=O)C1.
What is the InChIKey of 8-(2-fluoro-6-methylbenzoyl)-2-(pyrrolidin-1-ylmethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is XONPUPVQIWXHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-14-5-4-6-16(21)19(14)20(27)24-9-10-25-17(13-24)22-15(11-18(25)26)12-23-7-2-3-8-23/h4-6,11H,2-3,7-10,12-13H2,1H3.
What are the key properties of 8-(2-fluoro-6-methylbenzoyl)-2-(pyrrolidin-1-ylmethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one?
8-(2-fluoro-6-methylbenzoyl)-2-(pyrrolidin-1-ylmethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 370.43 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoro-6-methylbenzoyl)-2-(pyrrolidin-1-ylmethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 131691890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).