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5,6-dipropyl-1H-pyrimidine-2,4-dione

C10H16N2O2 — CID 154112220

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5,6-dipropyl-1H-pyrimidine-2,4-dione
SMILESCCCc1[nH]c(=O)[nH]c(=O)c1CCC
InChIInChI=1S/C10H16N2O2/c1-3-5-7-8(6-4-2)11-10(14)12-9(7)13/h3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyXBQTWXLWWKRKOM-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.97
Rot. Bonds4

About 5,6-dipropyl-1H-pyrimidine-2,4-dione

5,6-dipropyl-1H-pyrimidine-2,4-dione (PubChem CID 154112220) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5,6-dipropyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-dipropyl-1H-pyrimidine-2,4-dione
PubChem CID154112220
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name5,6-dipropyl-1H-pyrimidine-2,4-dione
SMILESCCCc1[nH]c(=O)[nH]c(=O)c1CCC
InChIInChI=1S/C10H16N2O2/c1-3-5-7-8(6-4-2)11-10(14)12-9(7)13/h3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyXBQTWXLWWKRKOM-UHFFFAOYSA-N
XLogP0.97
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dipropyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5,6-dipropyl-1H-pyrimidine-2,4-dione (CID 154112220) is 5,6-dipropyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5,6-dipropyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5,6-dipropyl-1H-pyrimidine-2,4-dione is CCCc1[nH]c(=O)[nH]c(=O)c1CCC.
What is the InChIKey of 5,6-dipropyl-1H-pyrimidine-2,4-dione?
The InChIKey is XBQTWXLWWKRKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-5-7-8(6-4-2)11-10(14)12-9(7)13/h3-6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 5,6-dipropyl-1H-pyrimidine-2,4-dione?
5,6-dipropyl-1H-pyrimidine-2,4-dione has a molecular weight of 196.25 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dipropyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 154112220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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