2-(fluoromethyl)-5-methyl-1H-pyrimidin-6-one

C6H7FN2O — CID 22947838

IUPAC2-(fluoromethyl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1cnc(CF)[nH]c1=O
InChIInChI=1S/C6H7FN2O/c1-4-3-8-5(2-7)9-6(4)10/h3H,2H2,1H3,(H,8,9,10)
InChIKeyGEVMMYSAKXNKFE-UHFFFAOYSA-N
MW142.13 g/mol
LogP0.55
Rot. Bonds1

About 2-(fluoromethyl)-5-methyl-1H-pyrimidin-6-one

2-(fluoromethyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 22947838) has the molecular formula C6H7FN2O and a molecular weight of 142.13 g/mol. Its IUPAC name is 2-(fluoromethyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(fluoromethyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID22947838
Molecular FormulaC6H7FN2O
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name2-(fluoromethyl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1cnc(CF)[nH]c1=O
InChIInChI=1S/C6H7FN2O/c1-4-3-8-5(2-7)9-6(4)10/h3H,2H2,1H3,(H,8,9,10)
InChIKeyGEVMMYSAKXNKFE-UHFFFAOYSA-N
XLogP0.55
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(Aminomethyl)-2-methyl-4(3H)-pyrimidinone
CID 12694600
2,5-Dimethylpyrimidin-4-ol
CID 242454
4-Hydroxy-2-methylpyrimidine-5-carbonitrile
CID 262084
5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one
CID 21668104
5-ethyl-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 24903860
2-Ethyl-5-fluoropyrimidin-4(1H)-one
CID 45080158
5-Fluoro-2-methylpyrimidin-4-ol
CID 45080525
2-Methyl-5-(trifluoromethyl)pyrimidin-4-ol
CID 54003329
5-fluoro-2-propan-2-yl-1H-pyrimidin-6-one
CID 67476784
2-butan-2-yl-5-fluoro-1H-pyrimidin-6-one
CID 67478305
5-ethyl-2-(fluoromethyl)-1H-pyrimidin-6-one
CID 152078762
2-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one
CID 170731185

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(fluoromethyl)-5-methyl-1H-pyrimidin-6-one (CID 22947838) is 2-(fluoromethyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(fluoromethyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(fluoromethyl)-5-methyl-1H-pyrimidin-6-one is Cc1cnc(CF)[nH]c1=O.
What is the InChIKey of 2-(fluoromethyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is GEVMMYSAKXNKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O/c1-4-3-8-5(2-7)9-6(4)10/h3H,2H2,1H3,(H,8,9,10).
What are the key properties of 2-(fluoromethyl)-5-methyl-1H-pyrimidin-6-one?
2-(fluoromethyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 142.13 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 22947838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).