6-(2-aminoethyl)-5-methyl-4-phenyl-1H-pyrimidin-2-one

C13H15N3O — CID 83850270

IUPAC6-(2-aminoethyl)-5-methyl-4-phenyl-1H-pyrimidin-2-one
SMILESCc1c(-c2ccccc2)nc(=O)[nH]c1CCN
InChIInChI=1S/C13H15N3O/c1-9-11(7-8-14)15-13(17)16-12(9)10-5-3-2-4-6-10/h2-6H,7-8,14H2,1H3,(H,15,16,17)
InChIKeyQPJDKZAMUIAAJG-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.25
Rot. Bonds3

About 6-(2-aminoethyl)-5-methyl-4-phenyl-1H-pyrimidin-2-one

6-(2-aminoethyl)-5-methyl-4-phenyl-1H-pyrimidin-2-one (PubChem CID 83850270) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-(2-aminoethyl)-5-methyl-4-phenyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2-aminoethyl)-5-methyl-4-phenyl-1H-pyrimidin-2-one
PubChem CID83850270
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name6-(2-aminoethyl)-5-methyl-4-phenyl-1H-pyrimidin-2-one
SMILESCc1c(-c2ccccc2)nc(=O)[nH]c1CCN
InChIInChI=1S/C13H15N3O/c1-9-11(7-8-14)15-13(17)16-12(9)10-5-3-2-4-6-10/h2-6H,7-8,14H2,1H3,(H,15,16,17)
InChIKeyQPJDKZAMUIAAJG-UHFFFAOYSA-N
XLogP1.25
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)ethanamine
CID 82288554
ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate
CID 2763693
2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764378
ethane;4-phenyl-1H-quinazolin-2-one
CID 159100188
2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 82285806
2-(1-methoxypropan-2-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136930656
5-(4-methylphenoxy)-6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one
CID 632724
5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one
CID 137000220
(5-methyl-4-phenyl-1H-imidazol-2-yl)methanamine
CID 43649240
2-(2-methyl-5-phenylimidazo[5,1-f][1,2,4]triazin-7-yl)ethanamine
CID 82381864
6-ethyl-4-phenyl-1H-pyrido[3,2-d]pyrimidin-2-one
CID 110181275
2-(3-aminophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764468

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-5-methyl-4-phenyl-1H-pyrimidin-2-one?
The IUPAC name of 6-(2-aminoethyl)-5-methyl-4-phenyl-1H-pyrimidin-2-one (CID 83850270) is 6-(2-aminoethyl)-5-methyl-4-phenyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2-aminoethyl)-5-methyl-4-phenyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2-aminoethyl)-5-methyl-4-phenyl-1H-pyrimidin-2-one is Cc1c(-c2ccccc2)nc(=O)[nH]c1CCN.
What is the InChIKey of 6-(2-aminoethyl)-5-methyl-4-phenyl-1H-pyrimidin-2-one?
The InChIKey is QPJDKZAMUIAAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-11(7-8-14)15-13(17)16-12(9)10-5-3-2-4-6-10/h2-6H,7-8,14H2,1H3,(H,15,16,17).
What are the key properties of 6-(2-aminoethyl)-5-methyl-4-phenyl-1H-pyrimidin-2-one?
6-(2-aminoethyl)-5-methyl-4-phenyl-1H-pyrimidin-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-5-methyl-4-phenyl-1H-pyrimidin-2-one is sourced from PubChem (CID 83850270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).