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

C10H16N2O3 — CID 10751022

IUPAC5-propan-2-yl-1-propoxypyrimidine-2,4-dione
SMILESCCCOn1cc(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O3/c1-4-5-15-12-6-8(7(2)3)9(13)11-10(12)14/h6-7H,4-5H2,1-3H3,(H,11,13,14)
InChIKeyNXIJSKDOQCUVHE-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.50
Rot. Bonds4

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

5-propan-2-yl-1-propoxypyrimidine-2,4-dione (PubChem CID 10751022) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-propan-2-yl-1-propoxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-propan-2-yl-1-propoxypyrimidine-2,4-dione
PubChem CID10751022
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name5-propan-2-yl-1-propoxypyrimidine-2,4-dione
SMILESCCCOn1cc(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O3/c1-4-5-15-12-6-8(7(2)3)9(13)11-10(12)14/h6-7H,4-5H2,1-3H3,(H,11,13,14)
InChIKeyNXIJSKDOQCUVHE-UHFFFAOYSA-N
XLogP0.50
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-1-(2-hydroxyoctyl)pyrimidine-2,4-dione
CID 11322863
1-hexadecoxypyrimidine-2,4-dione
CID 177191726
5-fluoro-1-methoxypyrimidine-2,4-dione
CID 164899020
1-[(1S)-1-ethoxyethyl]-5-fluoropyrimidine-2,4-dione
CID 712428
propyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
CID 11543758
2-propoxypyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 170189407
1-[(2R)-2,4-dimethylhexyl]-5-methylpyrimidine-2,4-dione
CID 163296260
6-hydroxy-1-propan-2-yl-5-propoxypyrimidine-2,4-dione
CID 123311990
(5-fluoro-2,4-dioxopyrimidin-1-yl) 2-hydroxypropanoate
CID 174630009
5-amino-1-(2-hydroxypropyl)pyrimidine-2,4-dione
CID 65277616
5-iodo-1-pentylpyrimidine-2,4-dione
CID 79784699
1-(2-ethoxyethyl)-5-ethylpyrimidine-2,4-dione
CID 66330926

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-propoxypyrimidine-2,4-dione?
The IUPAC name of 5-propan-2-yl-1-propoxypyrimidine-2,4-dione (CID 10751022) is 5-propan-2-yl-1-propoxypyrimidine-2,4-dione.
What is the SMILES notation for 5-propan-2-yl-1-propoxypyrimidine-2,4-dione?
The canonical SMILES for 5-propan-2-yl-1-propoxypyrimidine-2,4-dione is CCCOn1cc(C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 5-propan-2-yl-1-propoxypyrimidine-2,4-dione?
The InChIKey is NXIJSKDOQCUVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-5-15-12-6-8(7(2)3)9(13)11-10(12)14/h6-7H,4-5H2,1-3H3,(H,11,13,14).
What are the key properties of 5-propan-2-yl-1-propoxypyrimidine-2,4-dione?
5-propan-2-yl-1-propoxypyrimidine-2,4-dione has a molecular weight of 212.25 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-propoxypyrimidine-2,4-dione is sourced from PubChem (CID 10751022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).