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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Related Compounds

7-methyl-4-oxo-2-(phenylamino)-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 680824
2-Anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 2424851
9-Anilino-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 122179704
2-anilino-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde oxime
CID 135449161
2-anilino-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde oxime
CID 135449261
2-[(2-fluorophenyl)amino]-3-[(E)-(hydroxyimino)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135635677
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-phenyl-
CID 3079287
(E)-3-((sec-butylimino)methyl)-9-methyl-2-(phenylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4454101
(E)-2-cyano-N-(3-methoxypropyl)-3-[4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
CID 5921518
4-oxo-N-phenyl-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 4572065
Ethyl 6-imino-11-methyl-2-oxo-7-phenyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
CID 4510047
1-(2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-3-(3-fluorophenyl)urea
CID 44010066

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).