2-[[[(1S)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

C21H21N3O2 — CID 95295827

IUPAC2-[[[(1S)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN(C)[C@@H](C)c3cc4ccccc4o3)nc12
InChIInChI=1S/C21H21N3O2/c1-14-7-6-10-24-20(25)12-17(22-21(14)24)13-23(3)15(2)19-11-16-8-4-5-9-18(16)26-19/h4-12,15H,13H2,1-3H3/t15-/m0/s1
InChIKeyDWSRVJNVISBAFC-HNNXBMFYSA-N
MW347.42 g/mol
LogP3.94
Rot. Bonds4

About 2-[[[(1S)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

2-[[[(1S)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 95295827) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[[[(1S)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[[(1S)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID95295827
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-[[[(1S)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN(C)[C@@H](C)c3cc4ccccc4o3)nc12
InChIInChI=1S/C21H21N3O2/c1-14-7-6-10-24-20(25)12-17(22-21(14)24)13-23(3)15(2)19-11-16-8-4-5-9-18(16)26-19/h4-12,15H,13H2,1-3H3/t15-/m0/s1
InChIKeyDWSRVJNVISBAFC-HNNXBMFYSA-N
XLogP3.94
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[[(1S)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

(1R)-1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine
CID 94026757
2-methyl-2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
CID 62820894
2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 115022990
2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119928920
2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 60510332
7-[[1-(1-benzofuran-2-yl)ethyl-ethylamino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 47073330
2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
CID 61013216
9-methyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 56818277
6-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione
CID 94020630
(2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid
CID 104876351
ethyl 4-[[[(1S)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-1,3-thiazole-2-carboxylate
CID 51964388
9-hydroxy-2-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 135098965

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1S)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[[(1S)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 95295827) is 2-[[[(1S)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[[(1S)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[[(1S)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(CN(C)[C@@H](C)c3cc4ccccc4o3)nc12.
What is the InChIKey of 2-[[[(1S)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DWSRVJNVISBAFC-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-7-6-10-24-20(25)12-17(22-21(14)24)13-23(3)15(2)19-11-16-8-4-5-9-18(16)26-19/h4-12,15H,13H2,1-3H3/t15-/m0/s1.
What are the key properties of 2-[[[(1S)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[[(1S)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 347.42 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1S)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 95295827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).