5-(1-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione

C9H14N2O3 — CID 144863604

IUPAC5-(1-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)OC(C)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O3/c1-5(2)14-6(3)7-4-10-9(13)11-8(7)12/h4-6H,1-3H3,(H2,10,11,12,13)
InChIKeyWVIWJHQKEOUCQG-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.55
Rot. Bonds3

About 5-(1-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione

5-(1-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione (PubChem CID 144863604) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 5-(1-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(1-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione
PubChem CID144863604
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name5-(1-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)OC(C)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O3/c1-5(2)14-6(3)7-4-10-9(13)11-8(7)12/h4-6H,1-3H3,(H2,10,11,12,13)
InChIKeyWVIWJHQKEOUCQG-UHFFFAOYSA-N
XLogP0.55
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(1-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione (CID 144863604) is 5-(1-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(1-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(1-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione is CC(C)OC(C)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(1-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is WVIWJHQKEOUCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-5(2)14-6(3)7-4-10-9(13)11-8(7)12/h4-6H,1-3H3,(H2,10,11,12,13).
What are the key properties of 5-(1-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione?
5-(1-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 198.22 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propan-2-yloxyethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 144863604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).