4-butyl-2-(4-hydroxyanilino)-1H-pyrimidin-6-one

C14H17N3O2 — CID 136780144

IUPAC4-butyl-2-(4-hydroxyanilino)-1H-pyrimidin-6-one
SMILESCCCCc1cc(=O)[nH]c(Nc2ccc(O)cc2)n1
InChIInChI=1S/C14H17N3O2/c1-2-3-4-11-9-13(19)17-14(16-11)15-10-5-7-12(18)8-6-10/h5-9,18H,2-4H2,1H3,(H2,15,16,17,19)
InChIKeyZNFBZBPRCVMLHG-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.56
Rot. Bonds5

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

4-butyl-2-(4-hydroxyanilino)-1H-pyrimidin-6-one (PubChem CID 136780144) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-butyl-2-(4-hydroxyanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-butyl-2-(4-hydroxyanilino)-1H-pyrimidin-6-one
PubChem CID136780144
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-butyl-2-(4-hydroxyanilino)-1H-pyrimidin-6-one
SMILESCCCCc1cc(=O)[nH]c(Nc2ccc(O)cc2)n1
InChIInChI=1S/C14H17N3O2/c1-2-3-4-11-9-13(19)17-14(16-11)15-10-5-7-12(18)8-6-10/h5-9,18H,2-4H2,1H3,(H2,15,16,17,19)
InChIKeyZNFBZBPRCVMLHG-UHFFFAOYSA-N
XLogP2.56
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetamide
CID 136778835
propyl 4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]benzoate
CID 136778726
2-(4-ethylanilino)-4-propyl-1H-pyrimidin-6-one
CID 135506181
2-(3-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one
CID 135443968
4-butyl-2-(2,4-dimethylanilino)-1H-pyrimidin-6-one
CID 136779086
butyl 3-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]benzoate
CID 136779121
2-(naphthalen-2-ylamino)-4-propyl-1H-pyrimidin-6-one
CID 135667332
4-butyl-2-(2,5-difluoroanilino)-1H-pyrimidin-6-one
CID 136779304
propyl 4-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)amino]benzoate
CID 135749149
2-(4-hydroxyanilino)-4-phenyl-1H-pyrimidin-6-one
CID 135460740
4-ethyl-2-(3-hydroxyanilino)-1H-pyrimidin-6-one
CID 135763936
4-butyl-2-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one
CID 136778998

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-(4-hydroxyanilino)-1H-pyrimidin-6-one?
The IUPAC name of 4-butyl-2-(4-hydroxyanilino)-1H-pyrimidin-6-one (CID 136780144) is 4-butyl-2-(4-hydroxyanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-butyl-2-(4-hydroxyanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-butyl-2-(4-hydroxyanilino)-1H-pyrimidin-6-one is CCCCc1cc(=O)[nH]c(Nc2ccc(O)cc2)n1.
What is the InChIKey of 4-butyl-2-(4-hydroxyanilino)-1H-pyrimidin-6-one?
The InChIKey is ZNFBZBPRCVMLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-3-4-11-9-13(19)17-14(16-11)15-10-5-7-12(18)8-6-10/h5-9,18H,2-4H2,1H3,(H2,15,16,17,19).
What are the key properties of 4-butyl-2-(4-hydroxyanilino)-1H-pyrimidin-6-one?
4-butyl-2-(4-hydroxyanilino)-1H-pyrimidin-6-one has a molecular weight of 259.31 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-(4-hydroxyanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136780144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).