2-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one

C19H19N3O3 — CID 135727215

IUPAC2-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCCOc1ccc(Nc2nc(-c3ccc(OC)cc3)cc(=O)[nH]2)cc1
InChIInChI=1S/C19H19N3O3/c1-3-25-16-10-6-14(7-11-16)20-19-21-17(12-18(23)22-19)13-4-8-15(24-2)9-5-13/h4-12H,3H2,1-2H3,(H2,20,21,22,23)
InChIKeyAJQQABPAJOTHHS-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.59
Rot. Bonds6

About 2-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one

2-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 135727215) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
PubChem CID135727215
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCCOc1ccc(Nc2nc(-c3ccc(OC)cc3)cc(=O)[nH]2)cc1
InChIInChI=1S/C19H19N3O3/c1-3-25-16-10-6-14(7-11-16)20-19-21-17(12-18(23)22-19)13-4-8-15(24-2)9-5-13/h4-12H,3H2,1-2H3,(H2,20,21,22,23)
InChIKeyAJQQABPAJOTHHS-UHFFFAOYSA-N
XLogP3.59
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one
CID 136741173
2-(4-ethoxyanilino)-4-methyl-1H-pyrimidin-6-one
CID 135645208
4-(4-ethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one
CID 136691860
N-[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]nitramide
CID 136740741
4-(4-methoxyphenyl)-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one
CID 136778881
2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one
CID 135645510
2-(2-bromoanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136741078
6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 50878343
4-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136780123
4-(3,4-dimethoxyphenyl)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135895760
sodium 7-[4-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)amino]phenoxy]heptanoate
CID 135525368
2-anilino-4-(2-methoxy-4-pyridinyl)-1H-pyrimidin-6-one
CID 170655980

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one (CID 135727215) is 2-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one is CCOc1ccc(Nc2nc(-c3ccc(OC)cc3)cc(=O)[nH]2)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is AJQQABPAJOTHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-25-16-10-6-14(7-11-16)20-19-21-17(12-18(23)22-19)13-4-8-15(24-2)9-5-13/h4-12H,3H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one?
2-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 337.38 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135727215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).