2-(2,2-difluorocyclopropyl)-1H-pyrimidin-6-one

C7H6F2N2O — CID 163300929

IUPAC2-(2,2-difluorocyclopropyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CC2(F)F)[nH]1
InChIInChI=1S/C7H6F2N2O/c8-7(9)3-4(7)6-10-2-1-5(12)11-6/h1-2,4H,3H2,(H,10,11,12)
InChIKeyPUFKGVXCQLNKNJ-UHFFFAOYSA-N
MW172.13 g/mol
LogP0.89
Rot. Bonds1

About 2-(2,2-difluorocyclopropyl)-1H-pyrimidin-6-one

2-(2,2-difluorocyclopropyl)-1H-pyrimidin-6-one (PubChem CID 163300929) has the molecular formula C7H6F2N2O and a molecular weight of 172.13 g/mol. Its IUPAC name is 2-(2,2-difluorocyclopropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,2-difluorocyclopropyl)-1H-pyrimidin-6-one
PubChem CID163300929
Molecular FormulaC7H6F2N2O
Molecular Weight172.13 g/mol
Exact Mass172.04
IUPAC Name2-(2,2-difluorocyclopropyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CC2(F)F)[nH]1
InChIInChI=1S/C7H6F2N2O/c8-7(9)3-4(7)6-10-2-1-5(12)11-6/h1-2,4H,3H2,(H,10,11,12)
InChIKeyPUFKGVXCQLNKNJ-UHFFFAOYSA-N
XLogP0.89
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorocyclopropyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,2-difluorocyclopropyl)-1H-pyrimidin-6-one (CID 163300929) is 2-(2,2-difluorocyclopropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,2-difluorocyclopropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,2-difluorocyclopropyl)-1H-pyrimidin-6-one is O=c1ccnc(C2CC2(F)F)[nH]1.
What is the InChIKey of 2-(2,2-difluorocyclopropyl)-1H-pyrimidin-6-one?
The InChIKey is PUFKGVXCQLNKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O/c8-7(9)3-4(7)6-10-2-1-5(12)11-6/h1-2,4H,3H2,(H,10,11,12).
What are the key properties of 2-(2,2-difluorocyclopropyl)-1H-pyrimidin-6-one?
2-(2,2-difluorocyclopropyl)-1H-pyrimidin-6-one has a molecular weight of 172.13 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorocyclopropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 163300929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).