1-[(1R)-2-hydroxy-1-[3-(hydroxymethyl)pentan-3-yloxy]ethyl]pyrimidine-2,4-dione

C12H20N2O5 — CID 118667648

IUPAC1-[(1R)-2-hydroxy-1-[3-(hydroxymethyl)pentan-3-yloxy]ethyl]pyrimidine-2,4-dione
SMILESCCC(CC)(CO)O[C@H](CO)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C12H20N2O5/c1-3-12(4-2,8-16)19-10(7-15)14-6-5-9(17)13-11(14)18/h5-6,10,15-16H,3-4,7-8H2,1-2H3,(H,13,17,18)/t10-/m1/s1
InChIKeyVWLYZXFYLIKDMN-SNVBAGLBSA-N
MW272.30 g/mol
LogP-0.40
Rot. Bonds7

About 1-[(1R)-2-hydroxy-1-[3-(hydroxymethyl)pentan-3-yloxy]ethyl]pyrimidine-2,4-dione

1-[(1R)-2-hydroxy-1-[3-(hydroxymethyl)pentan-3-yloxy]ethyl]pyrimidine-2,4-dione (PubChem CID 118667648) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[(1R)-2-hydroxy-1-[3-(hydroxymethyl)pentan-3-yloxy]ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1R)-2-hydroxy-1-[3-(hydroxymethyl)pentan-3-yloxy]ethyl]pyrimidine-2,4-dione
PubChem CID118667648
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name1-[(1R)-2-hydroxy-1-[3-(hydroxymethyl)pentan-3-yloxy]ethyl]pyrimidine-2,4-dione
SMILESCCC(CC)(CO)O[C@H](CO)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C12H20N2O5/c1-3-12(4-2,8-16)19-10(7-15)14-6-5-9(17)13-11(14)18/h5-6,10,15-16H,3-4,7-8H2,1-2H3,(H,13,17,18)/t10-/m1/s1
InChIKeyVWLYZXFYLIKDMN-SNVBAGLBSA-N
XLogP-0.40
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-hydroxy-1-[3-(hydroxymethyl)pentan-3-yloxy]ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(1R)-2-hydroxy-1-[3-(hydroxymethyl)pentan-3-yloxy]ethyl]pyrimidine-2,4-dione (CID 118667648) is 1-[(1R)-2-hydroxy-1-[3-(hydroxymethyl)pentan-3-yloxy]ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1R)-2-hydroxy-1-[3-(hydroxymethyl)pentan-3-yloxy]ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(1R)-2-hydroxy-1-[3-(hydroxymethyl)pentan-3-yloxy]ethyl]pyrimidine-2,4-dione is CCC(CC)(CO)O[C@H](CO)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[(1R)-2-hydroxy-1-[3-(hydroxymethyl)pentan-3-yloxy]ethyl]pyrimidine-2,4-dione?
The InChIKey is VWLYZXFYLIKDMN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-3-12(4-2,8-16)19-10(7-15)14-6-5-9(17)13-11(14)18/h5-6,10,15-16H,3-4,7-8H2,1-2H3,(H,13,17,18)/t10-/m1/s1.
What are the key properties of 1-[(1R)-2-hydroxy-1-[3-(hydroxymethyl)pentan-3-yloxy]ethyl]pyrimidine-2,4-dione?
1-[(1R)-2-hydroxy-1-[3-(hydroxymethyl)pentan-3-yloxy]ethyl]pyrimidine-2,4-dione has a molecular weight of 272.30 g/mol, XLogP of -0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-hydroxy-1-[3-(hydroxymethyl)pentan-3-yloxy]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 118667648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).