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

C17H16N2O2 — CID 42928831

IUPAC2-[(3,5-dimethylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C)cc(OCc2cc(=O)n3ccccc3n2)c1
InChIInChI=1S/C17H16N2O2/c1-12-7-13(2)9-15(8-12)21-11-14-10-17(20)19-6-4-3-5-16(19)18-14/h3-10H,11H2,1-2H3
InChIKeyCZZMFZHGFPOBNP-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.89
Rot. Bonds3

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

2-[(3,5-dimethylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 42928831) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3,5-dimethylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID42928831
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-[(3,5-dimethylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C)cc(OCc2cc(=O)n3ccccc3n2)c1
InChIInChI=1S/C17H16N2O2/c1-12-7-13(2)9-15(8-12)21-11-14-10-17(20)19-6-4-3-5-16(19)18-14/h3-10H,11H2,1-2H3
InChIKeyCZZMFZHGFPOBNP-UHFFFAOYSA-N
XLogP2.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(3,5-dimethylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 42928831) is 2-[(3,5-dimethylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(3,5-dimethylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(3,5-dimethylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cc(C)cc(OCc2cc(=O)n3ccccc3n2)c1.
What is the InChIKey of 2-[(3,5-dimethylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CZZMFZHGFPOBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-7-13(2)9-15(8-12)21-11-14-10-17(20)19-6-4-3-5-16(19)18-14/h3-10H,11H2,1-2H3.
What are the key properties of 2-[(3,5-dimethylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(3,5-dimethylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 280.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 42928831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).