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

C13H15N3O2 — CID 135645208

IUPAC2-(4-ethoxyanilino)-4-methyl-1H-pyrimidin-6-one
SMILESCCOc1ccc(Nc2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C13H15N3O2/c1-3-18-11-6-4-10(5-7-11)15-13-14-9(2)8-12(17)16-13/h4-8H,3H2,1-2H3,(H2,14,15,16,17)
InChIKeyOYLYPKPARZFLJF-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.22
Rot. Bonds4

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

2-(4-ethoxyanilino)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135645208) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-4-methyl-1H-pyrimidin-6-one
PubChem CID135645208
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(4-ethoxyanilino)-4-methyl-1H-pyrimidin-6-one
SMILESCCOc1ccc(Nc2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C13H15N3O2/c1-3-18-11-6-4-10(5-7-11)15-13-14-9(2)8-12(17)16-13/h4-8H,3H2,1-2H3,(H2,14,15,16,17)
InChIKeyOYLYPKPARZFLJF-UHFFFAOYSA-N
XLogP2.22
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 135727215
4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile
CID 136740955
2-(4-ethoxyanilino)-4-methyl-5-propyl-1H-pyrimidin-6-one
CID 135629152
1-(4-ethoxyphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135471732
2-[2-(4-ethoxyanilino)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetonitrile
CID 135727303
4-methyl-2-[(2E)-2-[(4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136726343
8-(4-ethoxyanilino)-1,3-dimethyl-7H-purine-2,6-dione
CID 944831
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 50878343
4-methyl-2-(pyrimidin-2-ylamino)-1H-pyrimidin-6-one
CID 137003975
2-[2-[(3,4-diethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135481281
6-N-(4-ethoxyphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877881

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-ethoxyanilino)-4-methyl-1H-pyrimidin-6-one (CID 135645208) is 2-(4-ethoxyanilino)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-ethoxyanilino)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-ethoxyanilino)-4-methyl-1H-pyrimidin-6-one is CCOc1ccc(Nc2nc(C)cc(=O)[nH]2)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is OYLYPKPARZFLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-18-11-6-4-10(5-7-11)15-13-14-9(2)8-12(17)16-13/h4-8H,3H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-(4-ethoxyanilino)-4-methyl-1H-pyrimidin-6-one?
2-(4-ethoxyanilino)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 245.28 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135645208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).