2-(2-fluoro-5-methylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one

C13H14FN3O2 — CID 136741575

IUPAC2-(2-fluoro-5-methylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(Nc2cc(C)ccc2F)n1
InChIInChI=1S/C13H14FN3O2/c1-8-3-4-10(14)11(5-8)16-13-15-9(7-19-2)6-12(18)17-13/h3-6H,7H2,1-2H3,(H2,15,16,17,18)
InChIKeyWFZGOWKCOPBAPJ-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.11
Rot. Bonds4

About 2-(2-fluoro-5-methylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one

2-(2-fluoro-5-methylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136741575) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-fluoro-5-methylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID136741575
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name2-(2-fluoro-5-methylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(Nc2cc(C)ccc2F)n1
InChIInChI=1S/C13H14FN3O2/c1-8-3-4-10(14)11(5-8)16-13-15-9(7-19-2)6-12(18)17-13/h3-6H,7H2,1-2H3,(H2,15,16,17,18)
InChIKeyWFZGOWKCOPBAPJ-UHFFFAOYSA-N
XLogP2.11
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.11
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-(2,6-difluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741544
2-(2-chloro-4-fluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741545
2-(2,3-dimethylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136778710
2-[2-chloro-5-(trifluoromethyl)anilino]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741543
2-(2,5-difluoroanilino)-4-propyl-1H-pyrimidin-6-one
CID 136779303
2-(4-chloro-2,5-dimethoxyanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136778545
4-butyl-2-(2,5-difluoroanilino)-1H-pyrimidin-6-one
CID 136779304
2-(2-methoxy-5-methylanilino)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136779075
2-(2-hydroxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 135631209
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-fluoro-5-methylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-fluoro-5-methylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one (CID 136741575) is 2-(2-fluoro-5-methylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-fluoro-5-methylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-fluoro-5-methylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c(Nc2cc(C)ccc2F)n1.
What is the InChIKey of 2-(2-fluoro-5-methylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is WFZGOWKCOPBAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-8-3-4-10(14)11(5-8)16-13-15-9(7-19-2)6-12(18)17-13/h3-6H,7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-(2-fluoro-5-methylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
2-(2-fluoro-5-methylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 263.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136741575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).