4-(4-fluorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one

C13H11FN2O — CID 19780228

IUPAC4-(4-fluorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESO=c1nc(-c2ccc(F)cc2)c2c([nH]1)CCC2
InChIInChI=1S/C13H11FN2O/c14-9-6-4-8(5-7-9)12-10-2-1-3-11(10)15-13(17)16-12/h4-7H,1-3H2,(H,15,16,17)
InChIKeySGTLTTCDFZMIGF-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.06
Rot. Bonds1

About 4-(4-fluorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one

4-(4-fluorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (PubChem CID 19780228) has the molecular formula C13H11FN2O and a molecular weight of 230.24 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
PubChem CID19780228
Molecular FormulaC13H11FN2O
Molecular Weight230.24 g/mol
Exact Mass230.09
IUPAC Name4-(4-fluorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESO=c1nc(-c2ccc(F)cc2)c2c([nH]1)CCC2
InChIInChI=1S/C13H11FN2O/c14-9-6-4-8(5-7-9)12-10-2-1-3-11(10)15-13(17)16-12/h4-7H,1-3H2,(H,15,16,17)
InChIKeySGTLTTCDFZMIGF-UHFFFAOYSA-N
XLogP2.06
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The IUPAC name of 4-(4-fluorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (CID 19780228) is 4-(4-fluorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is O=c1nc(-c2ccc(F)cc2)c2c([nH]1)CCC2.
What is the InChIKey of 4-(4-fluorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The InChIKey is SGTLTTCDFZMIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O/c14-9-6-4-8(5-7-9)12-10-2-1-3-11(10)15-13(17)16-12/h4-7H,1-3H2,(H,15,16,17).
What are the key properties of 4-(4-fluorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
4-(4-fluorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one has a molecular weight of 230.24 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 19780228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).