2-(2-chloro-4-fluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one

C12H11ClFN3O2 — CID 136741545

IUPAC2-(2-chloro-4-fluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(Nc2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H11ClFN3O2/c1-19-6-8-5-11(18)17-12(15-8)16-10-3-2-7(14)4-9(10)13/h2-5H,6H2,1H3,(H2,15,16,17,18)
InChIKeyIBOYUJNRTGHCSJ-UHFFFAOYSA-N
MW283.69 g/mol
LogP2.45
Rot. Bonds4

About 2-(2-chloro-4-fluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one

2-(2-chloro-4-fluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136741545) has the molecular formula C12H11ClFN3O2 and a molecular weight of 283.69 g/mol. Its IUPAC name is 2-(2-chloro-4-fluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-chloro-4-fluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID136741545
Molecular FormulaC12H11ClFN3O2
Molecular Weight283.69 g/mol
Exact Mass283.05
IUPAC Name2-(2-chloro-4-fluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(Nc2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H11ClFN3O2/c1-19-6-8-5-11(18)17-12(15-8)16-10-3-2-7(14)4-9(10)13/h2-5H,6H2,1H3,(H2,15,16,17,18)
InChIKeyIBOYUJNRTGHCSJ-UHFFFAOYSA-N
XLogP2.45
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methoxymethyl)-2-(2,4,5-trifluoroanilino)-1H-pyrimidin-6-one
CID 136741563
2-(2-fluoro-5-methylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741575
2-[2-chloro-5-(trifluoromethyl)anilino]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741543
2-(4-chloro-2,5-dimethoxyanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136778545
2-(2,6-difluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741544
2-(2,3-dimethylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136778710
2-(2,5-difluoroanilino)-4-propyl-1H-pyrimidin-6-one
CID 136779303
4-butyl-2-(2,5-difluoroanilino)-1H-pyrimidin-6-one
CID 136779304
2-(2-hydroxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 135631209
2-(2,4-difluoroanilino)-4-methyl-1H-pyrimidin-6-one
CID 136779284
4-(methoxymethyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136780116
N-(4-chloro-2-fluorophenyl)-2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 136684363

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-chloro-4-fluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one (CID 136741545) is 2-(2-chloro-4-fluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-chloro-4-fluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-chloro-4-fluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c(Nc2ccc(F)cc2Cl)n1.
What is the InChIKey of 2-(2-chloro-4-fluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is IBOYUJNRTGHCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O2/c1-19-6-8-5-11(18)17-12(15-8)16-10-3-2-7(14)4-9(10)13/h2-5H,6H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-(2-chloro-4-fluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
2-(2-chloro-4-fluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 283.69 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136741545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).