1-(2-anilinoethyl)-5-methylpyrimidin-2-one

C13H15N3O — CID 63207193

IUPAC1-(2-anilinoethyl)-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CCNc2ccccc2)c1
InChIInChI=1S/C13H15N3O/c1-11-9-15-13(17)16(10-11)8-7-14-12-5-3-2-4-6-12/h2-6,9-10,14H,7-8H2,1H3
InChIKeyKMIWRWDVVHIUIM-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.66
Rot. Bonds4

About 1-(2-anilinoethyl)-5-methylpyrimidin-2-one

1-(2-anilinoethyl)-5-methylpyrimidin-2-one (PubChem CID 63207193) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(2-anilinoethyl)-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-(2-anilinoethyl)-5-methylpyrimidin-2-one
PubChem CID63207193
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-(2-anilinoethyl)-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CCNc2ccccc2)c1
InChIInChI=1S/C13H15N3O/c1-11-9-15-13(17)16(10-11)8-7-14-12-5-3-2-4-6-12/h2-6,9-10,14H,7-8H2,1H3
InChIKeyKMIWRWDVVHIUIM-UHFFFAOYSA-N
XLogP1.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-anilinoethyl)-5-methylpyrimidin-2-one?
The IUPAC name of 1-(2-anilinoethyl)-5-methylpyrimidin-2-one (CID 63207193) is 1-(2-anilinoethyl)-5-methylpyrimidin-2-one.
What is the SMILES notation for 1-(2-anilinoethyl)-5-methylpyrimidin-2-one?
The canonical SMILES for 1-(2-anilinoethyl)-5-methylpyrimidin-2-one is Cc1cnc(=O)n(CCNc2ccccc2)c1.
What is the InChIKey of 1-(2-anilinoethyl)-5-methylpyrimidin-2-one?
The InChIKey is KMIWRWDVVHIUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-11-9-15-13(17)16(10-11)8-7-14-12-5-3-2-4-6-12/h2-6,9-10,14H,7-8H2,1H3.
What are the key properties of 1-(2-anilinoethyl)-5-methylpyrimidin-2-one?
1-(2-anilinoethyl)-5-methylpyrimidin-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilinoethyl)-5-methylpyrimidin-2-one is sourced from PubChem (CID 63207193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).