2-cyclopropyl-4-(difluoromethyl)-1H-pyrimidin-6-one

C8H8F2N2O — CID 137027777

IUPAC2-cyclopropyl-4-(difluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)F)nc(C2CC2)[nH]1
InChIInChI=1S/C8H8F2N2O/c9-7(10)5-3-6(13)12-8(11-5)4-1-2-4/h3-4,7H,1-2H2,(H,11,12,13)
InChIKeyVROXRTGRGZJYCW-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.58
Rot. Bonds2

About 2-cyclopropyl-4-(difluoromethyl)-1H-pyrimidin-6-one

2-cyclopropyl-4-(difluoromethyl)-1H-pyrimidin-6-one (PubChem CID 137027777) has the molecular formula C8H8F2N2O and a molecular weight of 186.16 g/mol. Its IUPAC name is 2-cyclopropyl-4-(difluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(difluoromethyl)-1H-pyrimidin-6-one
PubChem CID137027777
Molecular FormulaC8H8F2N2O
Molecular Weight186.16 g/mol
Exact Mass186.06
IUPAC Name2-cyclopropyl-4-(difluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)F)nc(C2CC2)[nH]1
InChIInChI=1S/C8H8F2N2O/c9-7(10)5-3-6(13)12-8(11-5)4-1-2-4/h3-4,7H,1-2H2,(H,11,12,13)
InChIKeyVROXRTGRGZJYCW-UHFFFAOYSA-N
XLogP1.58
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(difluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(difluoromethyl)-1H-pyrimidin-6-one (CID 137027777) is 2-cyclopropyl-4-(difluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(difluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(difluoromethyl)-1H-pyrimidin-6-one is O=c1cc(C(F)F)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(difluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is VROXRTGRGZJYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O/c9-7(10)5-3-6(13)12-8(11-5)4-1-2-4/h3-4,7H,1-2H2,(H,11,12,13).
What are the key properties of 2-cyclopropyl-4-(difluoromethyl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(difluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 186.16 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(difluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137027777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).