2-[(N-ethyl-4-fluoroanilino)methyl]-6-methoxypyrido[1,2-a]pyrimidin-4-one

C18H18FN3O2 — CID 134489487

IUPAC2-[(N-ethyl-4-fluoroanilino)methyl]-6-methoxypyrido[1,2-a]pyrimidin-4-one
SMILESCCN(Cc1cc(=O)n2c(OC)cccc2n1)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O2/c1-3-21(15-9-7-13(19)8-10-15)12-14-11-17(23)22-16(20-14)5-4-6-18(22)24-2/h4-11H,3,12H2,1-2H3
InChIKeyBKAKLMTUIIEBQN-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.87
Rot. Bonds5

About 2-[(N-ethyl-4-fluoroanilino)methyl]-6-methoxypyrido[1,2-a]pyrimidin-4-one

2-[(N-ethyl-4-fluoroanilino)methyl]-6-methoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 134489487) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-[(N-ethyl-4-fluoroanilino)methyl]-6-methoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(N-ethyl-4-fluoroanilino)methyl]-6-methoxypyrido[1,2-a]pyrimidin-4-one
PubChem CID134489487
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name2-[(N-ethyl-4-fluoroanilino)methyl]-6-methoxypyrido[1,2-a]pyrimidin-4-one
SMILESCCN(Cc1cc(=O)n2c(OC)cccc2n1)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O2/c1-3-21(15-9-7-13(19)8-10-15)12-14-11-17(23)22-16(20-14)5-4-6-18(22)24-2/h4-11H,3,12H2,1-2H3
InChIKeyBKAKLMTUIIEBQN-UHFFFAOYSA-N
XLogP2.87
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-fluoro-4-morpholinophenyl)-2,6-dimethylpyrimidin-4(3H)-one
CID 72948204
US10280165, Example 27
CID 122630849
US10280165, Example 9
CID 134489477
US10280165, Example 5
CID 134489478
US10280165, Example 14
CID 134489481
US10280165, Example 4
CID 134489483
US10280165, Example 15
CID 134489484
4(3H)-Pyrimidinone, 3-(2-fluorophenyl)-2-methyl-
CID 3071126
3-(4-Fluorophenyl)-2-methylpyrimidin-4(3H)-one
CID 3071127
N-(4-fluorophenyl)-2-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]acetamide
CID 8891071
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 16010518
2-methyl-5-[(N-methylanilino)methyl]-[1,2]oxazolo[2,3-a]pyrimidin-7-one
CID 20939155

Frequently Asked Questions

What is the IUPAC name of 2-[(N-ethyl-4-fluoroanilino)methyl]-6-methoxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(N-ethyl-4-fluoroanilino)methyl]-6-methoxypyrido[1,2-a]pyrimidin-4-one (CID 134489487) is 2-[(N-ethyl-4-fluoroanilino)methyl]-6-methoxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(N-ethyl-4-fluoroanilino)methyl]-6-methoxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(N-ethyl-4-fluoroanilino)methyl]-6-methoxypyrido[1,2-a]pyrimidin-4-one is CCN(Cc1cc(=O)n2c(OC)cccc2n1)c1ccc(F)cc1.
What is the InChIKey of 2-[(N-ethyl-4-fluoroanilino)methyl]-6-methoxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BKAKLMTUIIEBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-3-21(15-9-7-13(19)8-10-15)12-14-11-17(23)22-16(20-14)5-4-6-18(22)24-2/h4-11H,3,12H2,1-2H3.
What are the key properties of 2-[(N-ethyl-4-fluoroanilino)methyl]-6-methoxypyrido[1,2-a]pyrimidin-4-one?
2-[(N-ethyl-4-fluoroanilino)methyl]-6-methoxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 327.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-ethyl-4-fluoroanilino)methyl]-6-methoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 134489487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).