2-(4-ethylanilino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C18H18N4O — CID 174496957

IUPAC2-(4-ethylanilino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCCc1ccc(Nc2nc(-c3ccncc3)cc(=O)n2C)cc1
InChIInChI=1S/C18H18N4O/c1-3-13-4-6-15(7-5-13)20-18-21-16(12-17(23)22(18)2)14-8-10-19-11-9-14/h4-12H,3H2,1-2H3,(H,20,21)
InChIKeyPQQPHGNOECPVLN-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.15
Rot. Bonds4

About 2-(4-ethylanilino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-(4-ethylanilino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 174496957) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(4-ethylanilino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-(4-ethylanilino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID174496957
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-(4-ethylanilino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCCc1ccc(Nc2nc(-c3ccncc3)cc(=O)n2C)cc1
InChIInChI=1S/C18H18N4O/c1-3-13-4-6-15(7-5-13)20-18-21-16(12-17(23)22(18)2)14-8-10-19-11-9-14/h4-12H,3H2,1-2H3,(H,20,21)
InChIKeyPQQPHGNOECPVLN-UHFFFAOYSA-N
XLogP3.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-(4-ethylanilino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 174496957) is 2-(4-ethylanilino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-(4-ethylanilino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-(4-ethylanilino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one is CCc1ccc(Nc2nc(-c3ccncc3)cc(=O)n2C)cc1.
What is the InChIKey of 2-(4-ethylanilino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is PQQPHGNOECPVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-3-13-4-6-15(7-5-13)20-18-21-16(12-17(23)22(18)2)14-8-10-19-11-9-14/h4-12H,3H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-ethylanilino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-(4-ethylanilino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 306.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 174496957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).