2-(2,5-difluoroanilino)-4-propyl-1H-pyrimidin-6-one

C13H13F2N3O — CID 136779303

IUPAC2-(2,5-difluoroanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2cc(F)ccc2F)n1
InChIInChI=1S/C13H13F2N3O/c1-2-3-9-7-12(19)18-13(16-9)17-11-6-8(14)4-5-10(11)15/h4-7H,2-3H2,1H3,(H2,16,17,18,19)
InChIKeyMAKTYCGDZBDSTD-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.74
Rot. Bonds4

About 2-(2,5-difluoroanilino)-4-propyl-1H-pyrimidin-6-one

2-(2,5-difluoroanilino)-4-propyl-1H-pyrimidin-6-one (PubChem CID 136779303) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-(2,5-difluoroanilino)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,5-difluoroanilino)-4-propyl-1H-pyrimidin-6-one
PubChem CID136779303
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-(2,5-difluoroanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2cc(F)ccc2F)n1
InChIInChI=1S/C13H13F2N3O/c1-2-3-9-7-12(19)18-13(16-9)17-11-6-8(14)4-5-10(11)15/h4-7H,2-3H2,1H3,(H2,16,17,18,19)
InChIKeyMAKTYCGDZBDSTD-UHFFFAOYSA-N
XLogP2.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-2-(2,5-difluoroanilino)-1H-pyrimidin-6-one
CID 136779304
2-(5-chloro-2-methylanilino)-4-propyl-1H-pyrimidin-6-one
CID 135459608
2-(4-ethylanilino)-4-propyl-1H-pyrimidin-6-one
CID 135506181
2-(2-fluoro-5-methylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741575
2-(naphthalen-2-ylamino)-4-propyl-1H-pyrimidin-6-one
CID 135667332
2-(2-chloro-4-fluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741545
2-(3-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one
CID 135443968
4-butyl-2-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one
CID 136778998
2-(2,4-difluoroanilino)-4-methyl-1H-pyrimidin-6-one
CID 136779284
4-(methoxymethyl)-2-(2,4,5-trifluoroanilino)-1H-pyrimidin-6-one
CID 136741563
4-butyl-2-(2,4-dimethylanilino)-1H-pyrimidin-6-one
CID 136779086
2-(5-chloro-2-methylanilino)-4-ethyl-1H-pyrimidin-6-one
CID 136778628

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoroanilino)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,5-difluoroanilino)-4-propyl-1H-pyrimidin-6-one (CID 136779303) is 2-(2,5-difluoroanilino)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,5-difluoroanilino)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,5-difluoroanilino)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(Nc2cc(F)ccc2F)n1.
What is the InChIKey of 2-(2,5-difluoroanilino)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is MAKTYCGDZBDSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-2-3-9-7-12(19)18-13(16-9)17-11-6-8(14)4-5-10(11)15/h4-7H,2-3H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-(2,5-difluoroanilino)-4-propyl-1H-pyrimidin-6-one?
2-(2,5-difluoroanilino)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 265.26 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoroanilino)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136779303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).