7-methyl-2-[(N-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one

C17H17N3O — CID 8689031

IUPAC7-methyl-2-[(N-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN(C)c3ccccc3)cc(=O)n2c1
InChIInChI=1S/C17H17N3O/c1-13-8-9-16-18-14(10-17(21)20(16)11-13)12-19(2)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeyZBURIMVPAULINH-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.64
Rot. Bonds3

About 7-methyl-2-[(N-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one

7-methyl-2-[(N-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 8689031) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 7-methyl-2-[(N-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-[(N-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID8689031
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name7-methyl-2-[(N-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN(C)c3ccccc3)cc(=O)n2c1
InChIInChI=1S/C17H17N3O/c1-13-8-9-16-18-14(10-17(21)20(16)11-13)12-19(2)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeyZBURIMVPAULINH-UHFFFAOYSA-N
XLogP2.64
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(N-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-[(N-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 8689031) is 7-methyl-2-[(N-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-[(N-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-[(N-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN(C)c3ccccc3)cc(=O)n2c1.
What is the InChIKey of 7-methyl-2-[(N-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZBURIMVPAULINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-8-9-16-18-14(10-17(21)20(16)11-13)12-19(2)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3.
What are the key properties of 7-methyl-2-[(N-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
7-methyl-2-[(N-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 279.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(N-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 8689031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).