6-hydroxy-1-propan-2-yl-5-propoxypyrimidine-2,4-dione

C10H16N2O4 — CID 123311990

IUPAC6-hydroxy-1-propan-2-yl-5-propoxypyrimidine-2,4-dione
SMILESCCCOc1c(O)n(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O4/c1-4-5-16-7-8(13)11-10(15)12(6(2)3)9(7)14/h6,14H,4-5H2,1-3H3,(H,11,13,15)
InChIKeyZDKWYYBMIIXNQT-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.61
Rot. Bonds4

About 6-hydroxy-1-propan-2-yl-5-propoxypyrimidine-2,4-dione

6-hydroxy-1-propan-2-yl-5-propoxypyrimidine-2,4-dione (PubChem CID 123311990) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 6-hydroxy-1-propan-2-yl-5-propoxypyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-propan-2-yl-5-propoxypyrimidine-2,4-dione
PubChem CID123311990
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name6-hydroxy-1-propan-2-yl-5-propoxypyrimidine-2,4-dione
SMILESCCCOc1c(O)n(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O4/c1-4-5-16-7-8(13)11-10(15)12(6(2)3)9(7)14/h6,14H,4-5H2,1-3H3,(H,11,13,15)
InChIKeyZDKWYYBMIIXNQT-UHFFFAOYSA-N
XLogP0.61
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxy-5-methyl-1-pentan-2-ylpyrimidine-2,4-dione
CID 112598984
6-hydroxy-5-methyl-1-(3-methylpentan-2-yl)pyrimidine-2,4-dione
CID 112600179
1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598288
5-fluoro-6-hydroxy-1-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4-dione
CID 112601033
N-cyclohexyl-6-hydroxy-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 66522785
5-fluoro-6-hydroxy-1-(2-methylpentan-3-yl)pyrimidine-2,4-dione
CID 112599740
5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione
CID 112598462
7-(2-aminobutyl)-3-propan-2-ylpurine-2,6-dione
CID 82465679
1-(1-cyclopropylethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599311
2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanamide
CID 112599391
5-hydroxy-3-propan-2-yl-4-sulfanyl-1H-imidazol-2-one
CID 91444789
1-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 141001554

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-propan-2-yl-5-propoxypyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-propan-2-yl-5-propoxypyrimidine-2,4-dione (CID 123311990) is 6-hydroxy-1-propan-2-yl-5-propoxypyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-propan-2-yl-5-propoxypyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-propan-2-yl-5-propoxypyrimidine-2,4-dione is CCCOc1c(O)n(C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-propan-2-yl-5-propoxypyrimidine-2,4-dione?
The InChIKey is ZDKWYYBMIIXNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-4-5-16-7-8(13)11-10(15)12(6(2)3)9(7)14/h6,14H,4-5H2,1-3H3,(H,11,13,15).
What are the key properties of 6-hydroxy-1-propan-2-yl-5-propoxypyrimidine-2,4-dione?
6-hydroxy-1-propan-2-yl-5-propoxypyrimidine-2,4-dione has a molecular weight of 228.25 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-propan-2-yl-5-propoxypyrimidine-2,4-dione is sourced from PubChem (CID 123311990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).