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

C12H11F2N3O2 — CID 136741544

IUPAC2-(2,6-difluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(Nc2c(F)cccc2F)n1
InChIInChI=1S/C12H11F2N3O2/c1-19-6-7-5-10(18)16-12(15-7)17-11-8(13)3-2-4-9(11)14/h2-5H,6H2,1H3,(H2,15,16,17,18)
InChIKeyNIVLKFGOJPBKBR-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.94
Rot. Bonds4

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

2-(2,6-difluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136741544) has the molecular formula C12H11F2N3O2 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-(2,6-difluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,6-difluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID136741544
Molecular FormulaC12H11F2N3O2
Molecular Weight267.24 g/mol
Exact Mass267.08
IUPAC Name2-(2,6-difluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(Nc2c(F)cccc2F)n1
InChIInChI=1S/C12H11F2N3O2/c1-19-6-7-5-10(18)16-12(15-7)17-11-8(13)3-2-4-9(11)14/h2-5H,6H2,1H3,(H2,15,16,17,18)
InChIKeyNIVLKFGOJPBKBR-UHFFFAOYSA-N
XLogP1.94
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.94
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-(2,3-dimethylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136778710
2-(2-chloro-4-fluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741545
[amino-(2,6-difluoroanilino)methylidene]-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]azanium
CID 135583543
2-[2-chloro-5-(trifluoromethyl)anilino]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741543
2-(2-hydroxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 135631209
2-(4-chloro-2,5-dimethoxyanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136778545
4-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136741567
4-ethyl-2-(3-hydroxyanilino)-1H-pyrimidin-6-one
CID 135763936
4-(methoxymethyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136780116
2-methylpropyl 4-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]amino]benzoate
CID 136779179

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,6-difluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one (CID 136741544) is 2-(2,6-difluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,6-difluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,6-difluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c(Nc2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is NIVLKFGOJPBKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2/c1-19-6-7-5-10(18)16-12(15-7)17-11-8(13)3-2-4-9(11)14/h2-5H,6H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-(2,6-difluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
2-(2,6-difluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 267.24 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136741544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).