6-(4-fluorophenyl)-5-methyl-4-phosphanyl-1H-pyrimidin-2-one

C11H10FN2OP — CID 143917633

IUPAC6-(4-fluorophenyl)-5-methyl-4-phosphanyl-1H-pyrimidin-2-one
SMILESCc1c(P)nc(=O)[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C11H10FN2OP/c1-6-9(13-11(15)14-10(6)16)7-2-4-8(12)5-3-7/h2-5H,16H2,1H3,(H,13,14,15)
InChIKeyBVJZKSZVHYGDNA-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.38
Rot. Bonds1

About 6-(4-fluorophenyl)-5-methyl-4-phosphanyl-1H-pyrimidin-2-one

6-(4-fluorophenyl)-5-methyl-4-phosphanyl-1H-pyrimidin-2-one (PubChem CID 143917633) has the molecular formula C11H10FN2OP and a molecular weight of 236.19 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-methyl-4-phosphanyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-methyl-4-phosphanyl-1H-pyrimidin-2-one
PubChem CID143917633
Molecular FormulaC11H10FN2OP
Molecular Weight236.19 g/mol
Exact Mass236.05
IUPAC Name6-(4-fluorophenyl)-5-methyl-4-phosphanyl-1H-pyrimidin-2-one
SMILESCc1c(P)nc(=O)[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C11H10FN2OP/c1-6-9(13-11(15)14-10(6)16)7-2-4-8(12)5-3-7/h2-5H,16H2,1H3,(H,13,14,15)
InChIKeyBVJZKSZVHYGDNA-UHFFFAOYSA-N
XLogP1.38
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-methyl-4-phosphanyl-1H-pyrimidin-2-one?
The IUPAC name of 6-(4-fluorophenyl)-5-methyl-4-phosphanyl-1H-pyrimidin-2-one (CID 143917633) is 6-(4-fluorophenyl)-5-methyl-4-phosphanyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(4-fluorophenyl)-5-methyl-4-phosphanyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-(4-fluorophenyl)-5-methyl-4-phosphanyl-1H-pyrimidin-2-one is Cc1c(P)nc(=O)[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-5-methyl-4-phosphanyl-1H-pyrimidin-2-one?
The InChIKey is BVJZKSZVHYGDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN2OP/c1-6-9(13-11(15)14-10(6)16)7-2-4-8(12)5-3-7/h2-5H,16H2,1H3,(H,13,14,15).
What are the key properties of 6-(4-fluorophenyl)-5-methyl-4-phosphanyl-1H-pyrimidin-2-one?
6-(4-fluorophenyl)-5-methyl-4-phosphanyl-1H-pyrimidin-2-one has a molecular weight of 236.19 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-methyl-4-phosphanyl-1H-pyrimidin-2-one is sourced from PubChem (CID 143917633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).