5-(2-hydroxyethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one

C10H13F3N2O3 — CID 136967815

IUPAC5-(2-hydroxyethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
SMILESCc1nc(COCC(F)(F)F)[nH]c(=O)c1CCO
InChIInChI=1S/C10H13F3N2O3/c1-6-7(2-3-16)9(17)15-8(14-6)4-18-5-10(11,12)13/h16H,2-5H2,1H3,(H,14,15,17)
InChIKeyOYMZZPYHVHQHQK-UHFFFAOYSA-N
MW266.22 g/mol
LogP0.69
Rot. Bonds5

About 5-(2-hydroxyethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one

5-(2-hydroxyethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136967815) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
PubChem CID136967815
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name5-(2-hydroxyethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
SMILESCc1nc(COCC(F)(F)F)[nH]c(=O)c1CCO
InChIInChI=1S/C10H13F3N2O3/c1-6-7(2-3-16)9(17)15-8(14-6)4-18-5-10(11,12)13/h16H,2-5H2,1H3,(H,14,15,17)
InChIKeyOYMZZPYHVHQHQK-UHFFFAOYSA-N
XLogP0.69
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-hydroxyethyl)-2,6-dimethyl-1H-pyrimidin-4-one
CID 135459367
5-(2-hydroxyethyl)-4-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136219424
5-(2-hydroxyethyl)-4-methyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136288777
2-[2-(2,2-difluoroethoxy)ethyl]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136842442
5-(2-hydroxyethyl)-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842443
2-[4-methyl-6-oxo-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-5-yl]acetic acid
CID 136842488
5-ethyl-4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 136890411
5-ethyl-4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 136890412
4-methyl-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 136890419
4-ethyl-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 136890423
4-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 136890424
5-(2-hydroxyethyl)-4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 136890425

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-hydroxyethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one (CID 136967815) is 5-(2-hydroxyethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-hydroxyethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one is Cc1nc(COCC(F)(F)F)[nH]c(=O)c1CCO.
What is the InChIKey of 5-(2-hydroxyethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is OYMZZPYHVHQHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c1-6-7(2-3-16)9(17)15-8(14-6)4-18-5-10(11,12)13/h16H,2-5H2,1H3,(H,14,15,17).
What are the key properties of 5-(2-hydroxyethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
5-(2-hydroxyethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 266.22 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136967815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).