2-(difluoromethyl)-1H-pyrimidin-6-one

C5H4F2N2O — CID 131028808

IUPAC2-(difluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(C(F)F)[nH]1
InChIInChI=1S/C5H4F2N2O/c6-4(7)5-8-2-1-3(10)9-5/h1-2,4H,(H,8,9,10)
InChIKeyTVTPOJNMFODUAU-UHFFFAOYSA-N
MW146.10 g/mol
LogP0.71
Rot. Bonds1

About 2-(difluoromethyl)-1H-pyrimidin-6-one

2-(difluoromethyl)-1H-pyrimidin-6-one (PubChem CID 131028808) has the molecular formula C5H4F2N2O and a molecular weight of 146.10 g/mol. Its IUPAC name is 2-(difluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(difluoromethyl)-1H-pyrimidin-6-one
PubChem CID131028808
Molecular FormulaC5H4F2N2O
Molecular Weight146.10 g/mol
Exact Mass146.03
IUPAC Name2-(difluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(C(F)F)[nH]1
InChIInChI=1S/C5H4F2N2O/c6-4(7)5-8-2-1-3(10)9-5/h1-2,4H,(H,8,9,10)
InChIKeyTVTPOJNMFODUAU-UHFFFAOYSA-N
XLogP0.71
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(difluoromethyl)-1H-pyrimidin-6-one (CID 131028808) is 2-(difluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(difluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(difluoromethyl)-1H-pyrimidin-6-one is O=c1ccnc(C(F)F)[nH]1.
What is the InChIKey of 2-(difluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is TVTPOJNMFODUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2O/c6-4(7)5-8-2-1-3(10)9-5/h1-2,4H,(H,8,9,10).
What are the key properties of 2-(difluoromethyl)-1H-pyrimidin-6-one?
2-(difluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 146.10 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 131028808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).