1-(5-hydroxyhexyl)pyrimidine-2,4-dione

C10H16N2O3 — CID 23287951

IUPAC1-(5-hydroxyhexyl)pyrimidine-2,4-dione
SMILESCC(O)CCCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O3/c1-8(13)4-2-3-6-12-7-5-9(14)11-10(12)15/h5,7-8,13H,2-4,6H2,1H3,(H,11,14,15)
InChIKeyKNYUQLDCCSMIKK-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.09
Rot. Bonds5

About 1-(5-hydroxyhexyl)pyrimidine-2,4-dione

1-(5-hydroxyhexyl)pyrimidine-2,4-dione (PubChem CID 23287951) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(5-hydroxyhexyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(5-hydroxyhexyl)pyrimidine-2,4-dione
PubChem CID23287951
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-(5-hydroxyhexyl)pyrimidine-2,4-dione
SMILESCC(O)CCCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O3/c1-8(13)4-2-3-6-12-7-5-9(14)11-10(12)15/h5,7-8,13H,2-4,6H2,1H3,(H,11,14,15)
InChIKeyKNYUQLDCCSMIKK-UHFFFAOYSA-N
XLogP0.09
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 452402
CID 452402
CID 11521261
CID 11521261
CID 44413566
CID 44413566
CID 479228
CID 479228
CID 25147788
CID 25147788
CID 44461484
CID 44461484
CID 500518
CID 500518
CID 188266
CID 188266
CID 138115460
CID 138115460
CID 138115462
CID 138115462
CID 107103893
CID 107103893
CID 129908908
CID 129908908

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxyhexyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(5-hydroxyhexyl)pyrimidine-2,4-dione (CID 23287951) is 1-(5-hydroxyhexyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(5-hydroxyhexyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(5-hydroxyhexyl)pyrimidine-2,4-dione is CC(O)CCCCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-(5-hydroxyhexyl)pyrimidine-2,4-dione?
The InChIKey is KNYUQLDCCSMIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-8(13)4-2-3-6-12-7-5-9(14)11-10(12)15/h5,7-8,13H,2-4,6H2,1H3,(H,11,14,15).
What are the key properties of 1-(5-hydroxyhexyl)pyrimidine-2,4-dione?
1-(5-hydroxyhexyl)pyrimidine-2,4-dione has a molecular weight of 212.25 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxyhexyl)pyrimidine-2,4-dione is sourced from PubChem (CID 23287951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).