4-hydroxy-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one

C9H11F3N2O2 — CID 63612957

IUPAC4-hydroxy-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(CC(F)(F)F)[nH]c1=O
InChIInChI=1S/C9H11F3N2O2/c1-2-3-5-7(15)13-6(14-8(5)16)4-9(10,11)12/h2-4H2,1H3,(H2,13,14,15,16)
InChIKeyVHZSXUGLDCVBKQ-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.53
Rot. Bonds3

About 4-hydroxy-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one

4-hydroxy-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one (PubChem CID 63612957) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 4-hydroxy-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
PubChem CID63612957
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name4-hydroxy-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(CC(F)(F)F)[nH]c1=O
InChIInChI=1S/C9H11F3N2O2/c1-2-3-5-7(15)13-6(14-8(5)16)4-9(10,11)12/h2-4H2,1H3,(H2,13,14,15,16)
InChIKeyVHZSXUGLDCVBKQ-UHFFFAOYSA-N
XLogP1.53
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one (CID 63612957) is 4-hydroxy-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one is CCCc1c(O)nc(CC(F)(F)F)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The InChIKey is VHZSXUGLDCVBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-2-3-5-7(15)13-6(14-8(5)16)4-9(10,11)12/h2-4H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-hydroxy-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
4-hydroxy-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one has a molecular weight of 236.19 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63612957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).