5-ethanimidoyl-6-(3-hydroxyphenyl)-4-methyl-5,6-dihydro-1H-pyrimidin-2-one

C13H15N3O2 — CID 123999969

IUPAC5-ethanimidoyl-6-(3-hydroxyphenyl)-4-methyl-5,6-dihydro-1H-pyrimidin-2-one
SMILES[H]/N=C(\C)C1C(C)=NC(=O)NC1c1cccc(O)c1
InChIInChI=1S/C13H15N3O2/c1-7(14)11-8(2)15-13(18)16-12(11)9-4-3-5-10(17)6-9/h3-6,11-12,14,17H,1-2H3,(H,16,18)/b14-7+
InChIKeyJEMWQLRUKIVVCF-VGOFMYFVSA-N
MW245.28 g/mol
LogP2.27
Rot. Bonds2

About 5-ethanimidoyl-6-(3-hydroxyphenyl)-4-methyl-5,6-dihydro-1H-pyrimidin-2-one

5-ethanimidoyl-6-(3-hydroxyphenyl)-4-methyl-5,6-dihydro-1H-pyrimidin-2-one (PubChem CID 123999969) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-ethanimidoyl-6-(3-hydroxyphenyl)-4-methyl-5,6-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-ethanimidoyl-6-(3-hydroxyphenyl)-4-methyl-5,6-dihydro-1H-pyrimidin-2-one
PubChem CID123999969
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-ethanimidoyl-6-(3-hydroxyphenyl)-4-methyl-5,6-dihydro-1H-pyrimidin-2-one
SMILES[H]/N=C(\C)C1C(C)=NC(=O)NC1c1cccc(O)c1
InChIInChI=1S/C13H15N3O2/c1-7(14)11-8(2)15-13(18)16-12(11)9-4-3-5-10(17)6-9/h3-6,11-12,14,17H,1-2H3,(H,16,18)/b14-7+
InChIKeyJEMWQLRUKIVVCF-VGOFMYFVSA-N
XLogP2.27
TPSA85.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethanimidoyl-6-(3-hydroxyphenyl)-4-methyl-5,6-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-ethanimidoyl-6-(3-hydroxyphenyl)-4-methyl-5,6-dihydro-1H-pyrimidin-2-one (CID 123999969) is 5-ethanimidoyl-6-(3-hydroxyphenyl)-4-methyl-5,6-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-ethanimidoyl-6-(3-hydroxyphenyl)-4-methyl-5,6-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-ethanimidoyl-6-(3-hydroxyphenyl)-4-methyl-5,6-dihydro-1H-pyrimidin-2-one is [H]/N=C(\C)C1C(C)=NC(=O)NC1c1cccc(O)c1.
What is the InChIKey of 5-ethanimidoyl-6-(3-hydroxyphenyl)-4-methyl-5,6-dihydro-1H-pyrimidin-2-one?
The InChIKey is JEMWQLRUKIVVCF-VGOFMYFVSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-7(14)11-8(2)15-13(18)16-12(11)9-4-3-5-10(17)6-9/h3-6,11-12,14,17H,1-2H3,(H,16,18)/b14-7+.
What are the key properties of 5-ethanimidoyl-6-(3-hydroxyphenyl)-4-methyl-5,6-dihydro-1H-pyrimidin-2-one?
5-ethanimidoyl-6-(3-hydroxyphenyl)-4-methyl-5,6-dihydro-1H-pyrimidin-2-one has a molecular weight of 245.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethanimidoyl-6-(3-hydroxyphenyl)-4-methyl-5,6-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 123999969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).