2-anilino-3-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one

C16H15N3O2 — CID 71203112

IUPAC2-anilino-3-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOCc1c(Nc2ccccc2)nc2ccccn2c1=O
InChIInChI=1S/C16H15N3O2/c1-21-11-13-15(17-12-7-3-2-4-8-12)18-14-9-5-6-10-19(14)16(13)20/h2-10,17H,11H2,1H3
InChIKeyMGTDBXWCBBLJSJ-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.58
Rot. Bonds4

About 2-anilino-3-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one

2-anilino-3-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 71203112) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-anilino-3-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-anilino-3-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID71203112
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-anilino-3-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOCc1c(Nc2ccccc2)nc2ccccn2c1=O
InChIInChI=1S/C16H15N3O2/c1-21-11-13-15(17-12-7-3-2-4-8-12)18-14-9-5-6-10-19(14)16(13)20/h2-10,17H,11H2,1H3
InChIKeyMGTDBXWCBBLJSJ-UHFFFAOYSA-N
XLogP2.58
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-3-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-anilino-3-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one (CID 71203112) is 2-anilino-3-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-anilino-3-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-anilino-3-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one is COCc1c(Nc2ccccc2)nc2ccccn2c1=O.
What is the InChIKey of 2-anilino-3-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MGTDBXWCBBLJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-21-11-13-15(17-12-7-3-2-4-8-12)18-14-9-5-6-10-19(14)16(13)20/h2-10,17H,11H2,1H3.
What are the key properties of 2-anilino-3-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one?
2-anilino-3-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 281.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 71203112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).