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

C11H9F2N3O — CID 136779284

IUPAC2-(2,4-difluoroanilino)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C11H9F2N3O/c1-6-4-10(17)16-11(14-6)15-9-3-2-7(12)5-8(9)13/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyDFVNOHXMWYNDJJ-UHFFFAOYSA-N
MW237.21 g/mol
LogP2.10
Rot. Bonds2

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

2-(2,4-difluoroanilino)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136779284) has the molecular formula C11H9F2N3O and a molecular weight of 237.21 g/mol. Its IUPAC name is 2-(2,4-difluoroanilino)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,4-difluoroanilino)-4-methyl-1H-pyrimidin-6-one
PubChem CID136779284
Molecular FormulaC11H9F2N3O
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name2-(2,4-difluoroanilino)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C11H9F2N3O/c1-6-4-10(17)16-11(14-6)15-9-3-2-7(12)5-8(9)13/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyDFVNOHXMWYNDJJ-UHFFFAOYSA-N
XLogP2.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(diethylamino)-2-methylanilino]-4-methyl-1H-pyrimidin-6-one
CID 136779231
2-(2,4-difluoroanilino)-5-fluoro-1H-pyrimidin-6-one
CID 53233791
2-(2-fluoro-4-methylanilino)-4-(3-methylphenyl)-1H-pyrimidin-6-one
CID 136741245
2-(2,5-difluoroanilino)-4-propyl-1H-pyrimidin-6-one
CID 136779303
2-(2,4-difluoroanilino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
CID 136779279
2-(4-fluoro-2-methylanilino)-4-(3-methylphenyl)-1H-pyrimidin-6-one
CID 136741229
4-methyl-2-(pyrimidin-2-ylamino)-1H-pyrimidin-6-one
CID 137003975
4-butyl-2-(2,5-difluoroanilino)-1H-pyrimidin-6-one
CID 136779304
2-(2-chloro-4-fluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741545
ethane;4-methyl-2-(methylamino)-1H-pyrimidin-6-one
CID 145166699
2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one
CID 135629608
2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 71786108

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoroanilino)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,4-difluoroanilino)-4-methyl-1H-pyrimidin-6-one (CID 136779284) is 2-(2,4-difluoroanilino)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,4-difluoroanilino)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,4-difluoroanilino)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(Nc2ccc(F)cc2F)n1.
What is the InChIKey of 2-(2,4-difluoroanilino)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is DFVNOHXMWYNDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O/c1-6-4-10(17)16-11(14-6)15-9-3-2-7(12)5-8(9)13/h2-5H,1H3,(H2,14,15,16,17).
What are the key properties of 2-(2,4-difluoroanilino)-4-methyl-1H-pyrimidin-6-one?
2-(2,4-difluoroanilino)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 237.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoroanilino)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136779284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).