2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C15H15N3OS — CID 18088842

IUPAC2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(Cc1ccsc1)Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C15H15N3OS/c1-17(9-12-5-7-20-11-12)10-13-8-15(19)18-6-3-2-4-14(18)16-13/h2-8,11H,9-10H2,1H3
InChIKeyRXJXQTMBINVWBE-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.39
Rot. Bonds4

About 2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 18088842) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID18088842
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(Cc1ccsc1)Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C15H15N3OS/c1-17(9-12-5-7-20-11-12)10-13-8-15(19)18-6-3-2-4-14(18)16-13/h2-8,11H,9-10H2,1H3
InChIKeyRXJXQTMBINVWBE-UHFFFAOYSA-N
XLogP2.39
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 18088842) is 2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is CN(Cc1ccsc1)Cc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RXJXQTMBINVWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-17(9-12-5-7-20-11-12)10-13-8-15(19)18-6-3-2-4-14(18)16-13/h2-8,11H,9-10H2,1H3.
What are the key properties of 2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 285.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 18088842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).