2-[(2,6-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one

C17H17N3O — CID 60688745

IUPAC2-[(2,6-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc(C)c1NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C17H17N3O/c1-12-6-5-7-13(2)17(12)18-11-14-10-16(21)20-9-4-3-8-15(20)19-14/h3-10,18H,11H2,1-2H3
InChIKeyATCQSORLHBCOFU-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.92
Rot. Bonds3

About 2-[(2,6-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one

2-[(2,6-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 60688745) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(2,6-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2,6-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID60688745
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-[(2,6-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc(C)c1NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C17H17N3O/c1-12-6-5-7-13(2)17(12)18-11-14-10-16(21)20-9-4-3-8-15(20)19-14/h3-10,18H,11H2,1-2H3
InChIKeyATCQSORLHBCOFU-UHFFFAOYSA-N
XLogP2.92
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(2,6-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 60688745) is 2-[(2,6-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(2,6-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(2,6-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccc(C)c1NCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[(2,6-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ATCQSORLHBCOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-6-5-7-13(2)17(12)18-11-14-10-16(21)20-9-4-3-8-15(20)19-14/h3-10,18H,11H2,1-2H3.
What are the key properties of 2-[(2,6-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(2,6-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 279.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60688745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).