4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]-2-phenyl-1H-pyrimidin-6-one

C19H21N3O2S — CID 135630726

IUPAC4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]-2-phenyl-1H-pyrimidin-6-one
SMILESCOCCN(Cc1cc(=O)[nH]c(-c2ccccc2)n1)Cc1cccs1
InChIInChI=1S/C19H21N3O2S/c1-24-10-9-22(14-17-8-5-11-25-17)13-16-12-18(23)21-19(20-16)15-6-3-2-4-7-15/h2-8,11-12H,9-10,13-14H2,1H3,(H,20,21,23)
InChIKeyWADQTNPWSYPDRV-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.15
Rot. Bonds8

About 4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]-2-phenyl-1H-pyrimidin-6-one

4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]-2-phenyl-1H-pyrimidin-6-one (PubChem CID 135630726) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]-2-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]-2-phenyl-1H-pyrimidin-6-one
PubChem CID135630726
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]-2-phenyl-1H-pyrimidin-6-one
SMILESCOCCN(Cc1cc(=O)[nH]c(-c2ccccc2)n1)Cc1cccs1
InChIInChI=1S/C19H21N3O2S/c1-24-10-9-22(14-17-8-5-11-25-17)13-16-12-18(23)21-19(20-16)15-6-3-2-4-7-15/h2-8,11-12H,9-10,13-14H2,1H3,(H,20,21,23)
InChIKeyWADQTNPWSYPDRV-UHFFFAOYSA-N
XLogP3.15
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]-2-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]-2-phenyl-1H-pyrimidin-6-one (CID 135630726) is 4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]-2-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]-2-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]-2-phenyl-1H-pyrimidin-6-one is COCCN(Cc1cc(=O)[nH]c(-c2ccccc2)n1)Cc1cccs1.
What is the InChIKey of 4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]-2-phenyl-1H-pyrimidin-6-one?
The InChIKey is WADQTNPWSYPDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-24-10-9-22(14-17-8-5-11-25-17)13-16-12-18(23)21-19(20-16)15-6-3-2-4-7-15/h2-8,11-12H,9-10,13-14H2,1H3,(H,20,21,23).
What are the key properties of 4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]-2-phenyl-1H-pyrimidin-6-one?
4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]-2-phenyl-1H-pyrimidin-6-one has a molecular weight of 355.46 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxyethyl(thiophen-2-ylmethyl)amino]methyl]-2-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135630726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).