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

C14H17N3O2 — CID 136575811

IUPAC2-[2-methoxyethyl(methyl)amino]-4-phenyl-1H-pyrimidin-6-one
SMILESCOCCN(C)c1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C14H17N3O2/c1-17(8-9-19-2)14-15-12(10-13(18)16-14)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,16,18)
InChIKeyUJACJXSBSBZPAF-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.52
Rot. Bonds5

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

2-[2-methoxyethyl(methyl)amino]-4-phenyl-1H-pyrimidin-6-one (PubChem CID 136575811) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[2-methoxyethyl(methyl)amino]-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-methoxyethyl(methyl)amino]-4-phenyl-1H-pyrimidin-6-one
PubChem CID136575811
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[2-methoxyethyl(methyl)amino]-4-phenyl-1H-pyrimidin-6-one
SMILESCOCCN(C)c1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C14H17N3O2/c1-17(8-9-19-2)14-15-12(10-13(18)16-14)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,16,18)
InChIKeyUJACJXSBSBZPAF-UHFFFAOYSA-N
XLogP1.52
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(methyl)amino]-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-methoxyethyl(methyl)amino]-4-phenyl-1H-pyrimidin-6-one (CID 136575811) is 2-[2-methoxyethyl(methyl)amino]-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-methoxyethyl(methyl)amino]-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-methoxyethyl(methyl)amino]-4-phenyl-1H-pyrimidin-6-one is COCCN(C)c1nc(-c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 2-[2-methoxyethyl(methyl)amino]-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is UJACJXSBSBZPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17(8-9-19-2)14-15-12(10-13(18)16-14)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,16,18).
What are the key properties of 2-[2-methoxyethyl(methyl)amino]-4-phenyl-1H-pyrimidin-6-one?
2-[2-methoxyethyl(methyl)amino]-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 259.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(methyl)amino]-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136575811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).