9-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one

C19H21N3O — CID 60524914

IUPAC9-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C)cc(N(C)Cc2cc(=O)n3cccc(C)c3n2)c1
InChIInChI=1S/C19H21N3O/c1-13-8-14(2)10-17(9-13)21(4)12-16-11-18(23)22-7-5-6-15(3)19(22)20-16/h5-11H,12H2,1-4H3
InChIKeyXDTUXLVPMZTBPW-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.26
Rot. Bonds3

About 9-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 60524914) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 9-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID60524914
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name9-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C)cc(N(C)Cc2cc(=O)n3cccc(C)c3n2)c1
InChIInChI=1S/C19H21N3O/c1-13-8-14(2)10-17(9-13)21(4)12-16-11-18(23)22-7-5-6-15(3)19(22)20-16/h5-11H,12H2,1-4H3
InChIKeyXDTUXLVPMZTBPW-UHFFFAOYSA-N
XLogP3.26
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 60524914) is 9-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cc(C)cc(N(C)Cc2cc(=O)n3cccc(C)c3n2)c1.
What is the InChIKey of 9-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XDTUXLVPMZTBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-8-14(2)10-17(9-13)21(4)12-16-11-18(23)22-7-5-6-15(3)19(22)20-16/h5-11H,12H2,1-4H3.
What are the key properties of 9-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 307.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60524914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).