2-[(4-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one

C14H15FN2O2 — CID 55216242

IUPAC2-[(4-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(Cc2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C14H15FN2O2/c1-2-3-11-13(18)16-12(17-14(11)19)8-9-4-6-10(15)7-5-9/h4-7H,2-3,8H2,1H3,(H2,16,17,18,19)
InChIKeyYNSZEWJNSRCWAY-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.16
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one

2-[(4-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 55216242) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID55216242
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name2-[(4-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(Cc2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C14H15FN2O2/c1-2-3-11-13(18)16-12(17-14(11)19)8-9-4-6-10(15)7-5-9/h4-7H,2-3,8H2,1H3,(H2,16,17,18,19)
InChIKeyYNSZEWJNSRCWAY-UHFFFAOYSA-N
XLogP2.16
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 55216242) is 2-[(4-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(Cc2ccc(F)cc2)[nH]c1=O.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is YNSZEWJNSRCWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-2-3-11-13(18)16-12(17-14(11)19)8-9-4-6-10(15)7-5-9/h4-7H,2-3,8H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-[(4-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-[(4-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 262.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 55216242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).