5-cyclopentyl-4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one

C12H15F3N2O3 — CID 103473516

IUPAC5-cyclopentyl-4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(COCC(F)(F)F)nc(O)c1C1CCCC1
InChIInChI=1S/C12H15F3N2O3/c13-12(14,15)6-20-5-8-16-10(18)9(11(19)17-8)7-3-1-2-4-7/h7H,1-6H2,(H2,16,17,18,19)
InChIKeyBBLNSKCRLOBDEP-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.21
Rot. Bonds4

About 5-cyclopentyl-4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one

5-cyclopentyl-4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one (PubChem CID 103473516) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 5-cyclopentyl-4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
PubChem CID103473516
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name5-cyclopentyl-4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(COCC(F)(F)F)nc(O)c1C1CCCC1
InChIInChI=1S/C12H15F3N2O3/c13-12(14,15)6-20-5-8-16-10(18)9(11(19)17-8)7-3-1-2-4-7/h7H,1-6H2,(H2,16,17,18,19)
InChIKeyBBLNSKCRLOBDEP-UHFFFAOYSA-N
XLogP2.21
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 103146660
5-cyclopentyl-4-hydroxy-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146661
4-hydroxy-5-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 103473471
4-hydroxy-5-propyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103473472
5-cyclopentyl-4-hydroxy-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 112569351
5-cyclopentyl-4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 112569394
5-cyclopentyl-2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 106814976
5-cyclopentyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 112569323
5-cyclopentyl-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 112569364
5-cyclopentyl-4-hydroxy-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 112569373
5-cyclopentyl-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 112569384
5-cyclopentyl-2-(1-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 112569385

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one (CID 103473516) is 5-cyclopentyl-4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one is O=c1[nH]c(COCC(F)(F)F)nc(O)c1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is BBLNSKCRLOBDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c13-12(14,15)6-20-5-8-16-10(18)9(11(19)17-8)7-3-1-2-4-7/h7H,1-6H2,(H2,16,17,18,19).
What are the key properties of 5-cyclopentyl-4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
5-cyclopentyl-4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 292.26 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 103473516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).