2-(3-fluoroanilino)-4-methyl-1H-pyrimidin-6-one

C11H10FN3O — CID 135459606

IUPAC2-(3-fluoroanilino)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Nc2cccc(F)c2)n1
InChIInChI=1S/C11H10FN3O/c1-7-5-10(16)15-11(13-7)14-9-4-2-3-8(12)6-9/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyYHDOLNHAZZQLGN-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.96
Rot. Bonds2

About 2-(3-fluoroanilino)-4-methyl-1H-pyrimidin-6-one

2-(3-fluoroanilino)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135459606) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-fluoroanilino)-4-methyl-1H-pyrimidin-6-one
PubChem CID135459606
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name2-(3-fluoroanilino)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Nc2cccc(F)c2)n1
InChIInChI=1S/C11H10FN3O/c1-7-5-10(16)15-11(13-7)14-9-4-2-3-8(12)6-9/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyYHDOLNHAZZQLGN-UHFFFAOYSA-N
XLogP1.96
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Methylanilino)-4-pyrimidinol
CID 824717
Guanidine, 1-(p-chlorophenyl)-3-(4-hydroxy-6-methyl-2-pyrimidinyl)-
CID 135408788
6,6-dimethyl-N2-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 221163
6-methyl-2-[(2-methylphenyl)amino]pyrimidin-4(3H)-one
CID 135454332
N-(1,6-Dihydro-4-methyl-6-oxo-2-pyrimidinyl)-N'-phenylguanidine
CID 135495567
2-N-Anilino-4-hydroxy-6-methylpyrimidine
CID 135416215
N-[(2-fluorophenyl)carbamothioyl]acetamide
CID 2235536
3-(Phenylamino)-1,2,4-triazin-5-ol
CID 135439726
2-[(3-bromophenyl)amino]-6-methyl-4(3H)-pyrimidinone
CID 135459599
2-{[4-(dimethylamino)phenyl]amino}-6-methyl-4(3H)-pyrimidinone
CID 135459603
2-[(4-chlorophenyl)amino]-6-propylpyrimidin-4(3H)-one
CID 135472778
N-(2,6-difluorophenyl)-N'-[4-hydroxy-6-(methoxymethyl)pyrimidin-2-yl]guanidine
CID 135473113

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-fluoroanilino)-4-methyl-1H-pyrimidin-6-one (CID 135459606) is 2-(3-fluoroanilino)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-fluoroanilino)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-fluoroanilino)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(Nc2cccc(F)c2)n1.
What is the InChIKey of 2-(3-fluoroanilino)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is YHDOLNHAZZQLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-7-5-10(16)15-11(13-7)14-9-4-2-3-8(12)6-9/h2-6H,1H3,(H2,13,14,15,16).
What are the key properties of 2-(3-fluoroanilino)-4-methyl-1H-pyrimidin-6-one?
2-(3-fluoroanilino)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 219.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135459606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).