4-(difluoromethyl)-5-methyl-1H-pyrimidin-6-one

C6H6F2N2O — CID 135738613

IUPAC4-(difluoromethyl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(C(F)F)nc[nH]c1=O
InChIInChI=1S/C6H6F2N2O/c1-3-4(5(7)8)9-2-10-6(3)11/h2,5H,1H3,(H,9,10,11)
InChIKeyIAGAGDWNXQDYEE-UHFFFAOYSA-N
MW160.12 g/mol
LogP1.02
Rot. Bonds1

About 4-(difluoromethyl)-5-methyl-1H-pyrimidin-6-one

4-(difluoromethyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 135738613) has the molecular formula C6H6F2N2O and a molecular weight of 160.12 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID135738613
Molecular FormulaC6H6F2N2O
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name4-(difluoromethyl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(C(F)F)nc[nH]c1=O
InChIInChI=1S/C6H6F2N2O/c1-3-4(5(7)8)9-2-10-6(3)11/h2,5H,1H3,(H,9,10,11)
InChIKeyIAGAGDWNXQDYEE-UHFFFAOYSA-N
XLogP1.02
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(difluoromethyl)-5-methyl-1H-pyrimidin-6-one (CID 135738613) is 4-(difluoromethyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(difluoromethyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(difluoromethyl)-5-methyl-1H-pyrimidin-6-one is Cc1c(C(F)F)nc[nH]c1=O.
What is the InChIKey of 4-(difluoromethyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is IAGAGDWNXQDYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O/c1-3-4(5(7)8)9-2-10-6(3)11/h2,5H,1H3,(H,9,10,11).
What are the key properties of 4-(difluoromethyl)-5-methyl-1H-pyrimidin-6-one?
4-(difluoromethyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 160.12 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135738613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).