6-(2-hydroxyethoxymethyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione

C10H16N2O4 — CID 150146784

IUPAC6-(2-hydroxyethoxymethyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)c1c(COCCO)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O4/c1-6(2)8-7(5-16-4-3-13)11-10(15)12-9(8)14/h6,13H,3-5H2,1-2H3,(H2,11,12,14,15)
InChIKeyFEKPAJQGCHZNBR-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.30
Rot. Bonds5

About 6-(2-hydroxyethoxymethyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione

6-(2-hydroxyethoxymethyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 150146784) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 6-(2-hydroxyethoxymethyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-hydroxyethoxymethyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione
PubChem CID150146784
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name6-(2-hydroxyethoxymethyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)c1c(COCCO)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O4/c1-6(2)8-7(5-16-4-3-13)11-10(15)12-9(8)14/h6,13H,3-5H2,1-2H3,(H2,11,12,14,15)
InChIKeyFEKPAJQGCHZNBR-UHFFFAOYSA-N
XLogP-0.30
TPSA95.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethoxymethyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2-hydroxyethoxymethyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione (CID 150146784) is 6-(2-hydroxyethoxymethyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-hydroxyethoxymethyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-hydroxyethoxymethyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione is CC(C)c1c(COCCO)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(2-hydroxyethoxymethyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is FEKPAJQGCHZNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-6(2)8-7(5-16-4-3-13)11-10(15)12-9(8)14/h6,13H,3-5H2,1-2H3,(H2,11,12,14,15).
What are the key properties of 6-(2-hydroxyethoxymethyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione?
6-(2-hydroxyethoxymethyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 228.25 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethoxymethyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 150146784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).