4-cyclopropyl-5-fluoro-6-methyl-1H-pyrimidin-2-one

C8H9FN2O — CID 143883702

IUPAC4-cyclopropyl-5-fluoro-6-methyl-1H-pyrimidin-2-one
SMILESCc1[nH]c(=O)nc(C2CC2)c1F
InChIInChI=1S/C8H9FN2O/c1-4-6(9)7(5-2-3-5)11-8(12)10-4/h5H,2-3H2,1H3,(H,10,11,12)
InChIKeyFIKWVIAYMVZEBZ-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.09
Rot. Bonds1

About 4-cyclopropyl-5-fluoro-6-methyl-1H-pyrimidin-2-one

4-cyclopropyl-5-fluoro-6-methyl-1H-pyrimidin-2-one (PubChem CID 143883702) has the molecular formula C8H9FN2O and a molecular weight of 168.17 g/mol. Its IUPAC name is 4-cyclopropyl-5-fluoro-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-cyclopropyl-5-fluoro-6-methyl-1H-pyrimidin-2-one
PubChem CID143883702
Molecular FormulaC8H9FN2O
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC Name4-cyclopropyl-5-fluoro-6-methyl-1H-pyrimidin-2-one
SMILESCc1[nH]c(=O)nc(C2CC2)c1F
InChIInChI=1S/C8H9FN2O/c1-4-6(9)7(5-2-3-5)11-8(12)10-4/h5H,2-3H2,1H3,(H,10,11,12)
InChIKeyFIKWVIAYMVZEBZ-UHFFFAOYSA-N
XLogP1.09
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-fluoro-6-methyl-1H-pyrimidin-2-one?
The IUPAC name of 4-cyclopropyl-5-fluoro-6-methyl-1H-pyrimidin-2-one (CID 143883702) is 4-cyclopropyl-5-fluoro-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-cyclopropyl-5-fluoro-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 4-cyclopropyl-5-fluoro-6-methyl-1H-pyrimidin-2-one is Cc1[nH]c(=O)nc(C2CC2)c1F.
What is the InChIKey of 4-cyclopropyl-5-fluoro-6-methyl-1H-pyrimidin-2-one?
The InChIKey is FIKWVIAYMVZEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O/c1-4-6(9)7(5-2-3-5)11-8(12)10-4/h5H,2-3H2,1H3,(H,10,11,12).
What are the key properties of 4-cyclopropyl-5-fluoro-6-methyl-1H-pyrimidin-2-one?
4-cyclopropyl-5-fluoro-6-methyl-1H-pyrimidin-2-one has a molecular weight of 168.17 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-fluoro-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 143883702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).