1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrimidine-2,4-dione

C8H9F3N2O3 — CID 58994207

IUPAC1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCCO)cc1C(F)(F)F
InChIInChI=1S/C8H9F3N2O3/c9-8(10,11)5-4-13(2-1-3-14)7(16)12-6(5)15/h4,14H,1-3H2,(H,12,15,16)
InChIKeyUASMWVIXLKYQDC-UHFFFAOYSA-N
MW238.16 g/mol
LogP-0.06
Rot. Bonds3

About 1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrimidine-2,4-dione

1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 58994207) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID58994207
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC Name1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCCO)cc1C(F)(F)F
InChIInChI=1S/C8H9F3N2O3/c9-8(10,11)5-4-13(2-1-3-14)7(16)12-6(5)15/h4,14H,1-3H2,(H,12,15,16)
InChIKeyUASMWVIXLKYQDC-UHFFFAOYSA-N
XLogP-0.06
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrimidine-2,4-dione (CID 58994207) is 1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CCCO)cc1C(F)(F)F.
What is the InChIKey of 1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is UASMWVIXLKYQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3/c9-8(10,11)5-4-13(2-1-3-14)7(16)12-6(5)15/h4,14H,1-3H2,(H,12,15,16).
What are the key properties of 1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrimidine-2,4-dione?
1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 238.16 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 58994207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).