1-[(2R)-5,5-bis(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione

C11H13F3N2O5 — CID 174147547

IUPAC1-[(2R)-5,5-bis(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@H]2CCC(CO)(CO)O2)cc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O5/c12-11(13,14)6-3-16(9(20)15-8(6)19)7-1-2-10(4-17,5-18)21-7/h3,7,17-18H,1-2,4-5H2,(H,15,19,20)/t7-/m1/s1
InChIKeyULWGGPQYPQIIHK-SSDOTTSWSA-N
MW310.23 g/mol
LogP-0.41
Rot. Bonds3

About 1-[(2R)-5,5-bis(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione

1-[(2R)-5,5-bis(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 174147547) has the molecular formula C11H13F3N2O5 and a molecular weight of 310.23 g/mol. Its IUPAC name is 1-[(2R)-5,5-bis(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R)-5,5-bis(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID174147547
Molecular FormulaC11H13F3N2O5
Molecular Weight310.23 g/mol
Exact Mass310.08
IUPAC Name1-[(2R)-5,5-bis(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@H]2CCC(CO)(CO)O2)cc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O5/c12-11(13,14)6-3-16(9(20)15-8(6)19)7-1-2-10(4-17,5-18)21-7/h3,7,17-18H,1-2,4-5H2,(H,15,19,20)/t7-/m1/s1
InChIKeyULWGGPQYPQIIHK-SSDOTTSWSA-N
XLogP-0.41
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-5,5-bis(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R)-5,5-bis(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione (CID 174147547) is 1-[(2R)-5,5-bis(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R)-5,5-bis(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R)-5,5-bis(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n([C@H]2CCC(CO)(CO)O2)cc1C(F)(F)F.
What is the InChIKey of 1-[(2R)-5,5-bis(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is ULWGGPQYPQIIHK-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13F3N2O5/c12-11(13,14)6-3-16(9(20)15-8(6)19)7-1-2-10(4-17,5-18)21-7/h3,7,17-18H,1-2,4-5H2,(H,15,19,20)/t7-/m1/s1.
What are the key properties of 1-[(2R)-5,5-bis(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione?
1-[(2R)-5,5-bis(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 310.23 g/mol, XLogP of -0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-5,5-bis(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 174147547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).