4-ethyl-2-(3-hydroxyanilino)-1H-pyrimidin-6-one

C12H13N3O2 — CID 135763936

IUPAC4-ethyl-2-(3-hydroxyanilino)-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(Nc2cccc(O)c2)n1
InChIInChI=1S/C12H13N3O2/c1-2-8-7-11(17)15-12(13-8)14-9-4-3-5-10(16)6-9/h3-7,16H,2H2,1H3,(H2,13,14,15,17)
InChIKeyMZDKFIWFEWKWOH-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.78
Rot. Bonds3

About 4-ethyl-2-(3-hydroxyanilino)-1H-pyrimidin-6-one

4-ethyl-2-(3-hydroxyanilino)-1H-pyrimidin-6-one (PubChem CID 135763936) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-ethyl-2-(3-hydroxyanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-(3-hydroxyanilino)-1H-pyrimidin-6-one
PubChem CID135763936
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name4-ethyl-2-(3-hydroxyanilino)-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(Nc2cccc(O)c2)n1
InChIInChI=1S/C12H13N3O2/c1-2-8-7-11(17)15-12(13-8)14-9-4-3-5-10(16)6-9/h3-7,16H,2H2,1H3,(H2,13,14,15,17)
InChIKeyMZDKFIWFEWKWOH-UHFFFAOYSA-N
XLogP1.78
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one
CID 135443968
butyl 3-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)amino]benzoate
CID 136779119
4-ethyl-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one
CID 136779267
6-(3-hydroxyanilino)-1H-1,3,5-triazine-2,4-dione
CID 45093594
4-butyl-2-(4-hydroxyanilino)-1H-pyrimidin-6-one
CID 136780144
2-(3-methylanilino)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136778818
2-(naphthalen-2-ylamino)-4-propyl-1H-pyrimidin-6-one
CID 135667332
2-(4-ethylanilino)-4-propyl-1H-pyrimidin-6-one
CID 135506181
4-ethyl-2-[4-(piperidin-1-ylmethyl)anilino]-1H-pyrimidin-6-one
CID 136683576
butyl 3-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]benzoate
CID 136779121
2-(4-anilinoanilino)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136778990
2-(4-ethylanilino)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136778681

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-hydroxyanilino)-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-(3-hydroxyanilino)-1H-pyrimidin-6-one (CID 135763936) is 4-ethyl-2-(3-hydroxyanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-(3-hydroxyanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-(3-hydroxyanilino)-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(Nc2cccc(O)c2)n1.
What is the InChIKey of 4-ethyl-2-(3-hydroxyanilino)-1H-pyrimidin-6-one?
The InChIKey is MZDKFIWFEWKWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-8-7-11(17)15-12(13-8)14-9-4-3-5-10(16)6-9/h3-7,16H,2H2,1H3,(H2,13,14,15,17).
What are the key properties of 4-ethyl-2-(3-hydroxyanilino)-1H-pyrimidin-6-one?
4-ethyl-2-(3-hydroxyanilino)-1H-pyrimidin-6-one has a molecular weight of 231.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-hydroxyanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135763936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).