2-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

C17H24N4O — CID 8005239

IUPAC2-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCN1CCC[C@@H]1CNCc1cc(=O)n2ccc(C)cc2n1
InChIInChI=1S/C17H24N4O/c1-3-20-7-4-5-15(20)12-18-11-14-10-17(22)21-8-6-13(2)9-16(21)19-14/h6,8-10,15,18H,3-5,7,11-12H2,1-2H3/t15-/m1/s1
InChIKeyVHHCKOCETFGCDJ-OAHLLOKOSA-N
MW300.41 g/mol
LogP1.58
Rot. Bonds5

About 2-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

2-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 8005239) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID8005239
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCN1CCC[C@@H]1CNCc1cc(=O)n2ccc(C)cc2n1
InChIInChI=1S/C17H24N4O/c1-3-20-7-4-5-15(20)12-18-11-14-10-17(22)21-8-6-13(2)9-16(21)19-14/h6,8-10,15,18H,3-5,7,11-12H2,1-2H3/t15-/m1/s1
InChIKeyVHHCKOCETFGCDJ-OAHLLOKOSA-N
XLogP1.58
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (CID 8005239) is 2-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is CCN1CCC[C@@H]1CNCc1cc(=O)n2ccc(C)cc2n1.
What is the InChIKey of 2-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VHHCKOCETFGCDJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-20-7-4-5-15(20)12-18-11-14-10-17(22)21-8-6-13(2)9-16(21)19-14/h6,8-10,15,18H,3-5,7,11-12H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 300.41 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 8005239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).