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

C7H7FN2O — CID 156818806

IUPAC2-(1-fluorocyclopropyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2(F)CC2)[nH]1
InChIInChI=1S/C7H7FN2O/c8-7(2-3-7)6-9-4-1-5(11)10-6/h1,4H,2-3H2,(H,9,10,11)
InChIKeyRBROBCAUOLMLDW-UHFFFAOYSA-N
MW154.14 g/mol
LogP0.73
Rot. Bonds1

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

2-(1-fluorocyclopropyl)-1H-pyrimidin-6-one (PubChem CID 156818806) has the molecular formula C7H7FN2O and a molecular weight of 154.14 g/mol. Its IUPAC name is 2-(1-fluorocyclopropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-fluorocyclopropyl)-1H-pyrimidin-6-one
PubChem CID156818806
Molecular FormulaC7H7FN2O
Molecular Weight154.14 g/mol
Exact Mass154.05
IUPAC Name2-(1-fluorocyclopropyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2(F)CC2)[nH]1
InChIInChI=1S/C7H7FN2O/c8-7(2-3-7)6-9-4-1-5(11)10-6/h1,4H,2-3H2,(H,9,10,11)
InChIKeyRBROBCAUOLMLDW-UHFFFAOYSA-N
XLogP0.73
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Tert-butyl-3,4-dihydropyrimidin-4-one
CID 12258917
2-(Propan-2-yl)pyrimidin-4-ol
CID 12440895
2-Cyclopropylpyrimidin-4-ol
CID 20504164
2-Fluoromethylpyrimidin-4(3h)-one
CID 19748096
2-ethyl-3H-pyrimidin-4-one
CID 295880
4(3H)-Pyrimidinone, 2-(1,1-difluoroethyl)-
CID 22180793
2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrimidin-6-one
CID 33698049
2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 61392911
2-(1,1,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 69089026
2-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 69089027
2-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one
CID 88610110
2-(Difluoromethyl)pyrimidin-4-OL
CID 131028808

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclopropyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-fluorocyclopropyl)-1H-pyrimidin-6-one (CID 156818806) is 2-(1-fluorocyclopropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-fluorocyclopropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-fluorocyclopropyl)-1H-pyrimidin-6-one is O=c1ccnc(C2(F)CC2)[nH]1.
What is the InChIKey of 2-(1-fluorocyclopropyl)-1H-pyrimidin-6-one?
The InChIKey is RBROBCAUOLMLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O/c8-7(2-3-7)6-9-4-1-5(11)10-6/h1,4H,2-3H2,(H,9,10,11).
What are the key properties of 2-(1-fluorocyclopropyl)-1H-pyrimidin-6-one?
2-(1-fluorocyclopropyl)-1H-pyrimidin-6-one has a molecular weight of 154.14 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclopropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 156818806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).