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

C8H9FN2O — CID 137169528

IUPAC2-cyclopropyl-4-(fluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(CF)nc(C2CC2)[nH]1
InChIInChI=1S/C8H9FN2O/c9-4-6-3-7(12)11-8(10-6)5-1-2-5/h3,5H,1-2,4H2,(H,10,11,12)
InChIKeyJVAWGDIEJFYZIA-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.12
Rot. Bonds2

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

2-cyclopropyl-4-(fluoromethyl)-1H-pyrimidin-6-one (PubChem CID 137169528) has the molecular formula C8H9FN2O and a molecular weight of 168.17 g/mol. Its IUPAC name is 2-cyclopropyl-4-(fluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(fluoromethyl)-1H-pyrimidin-6-one
PubChem CID137169528
Molecular FormulaC8H9FN2O
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC Name2-cyclopropyl-4-(fluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(CF)nc(C2CC2)[nH]1
InChIInChI=1S/C8H9FN2O/c9-4-6-3-7(12)11-8(10-6)5-1-2-5/h3,5H,1-2,4H2,(H,10,11,12)
InChIKeyJVAWGDIEJFYZIA-UHFFFAOYSA-N
XLogP1.12
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(fluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(fluoromethyl)-1H-pyrimidin-6-one (CID 137169528) is 2-cyclopropyl-4-(fluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(fluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(fluoromethyl)-1H-pyrimidin-6-one is O=c1cc(CF)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(fluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is JVAWGDIEJFYZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O/c9-4-6-3-7(12)11-8(10-6)5-1-2-5/h3,5H,1-2,4H2,(H,10,11,12).
What are the key properties of 2-cyclopropyl-4-(fluoromethyl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(fluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 168.17 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(fluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137169528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).