5-methyl-1-(propoxymethyl)pyrimidine-2,4-dione

C9H14N2O3 — CID 10058715

IUPAC5-methyl-1-(propoxymethyl)pyrimidine-2,4-dione
SMILESCCCOCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O3/c1-3-4-14-6-11-5-7(2)8(12)10-9(11)13/h5H,3-4,6H2,1-2H3,(H,10,12,13)
InChIKeySRCVLMAZVJNFSQ-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.23
Rot. Bonds4

About 5-methyl-1-(propoxymethyl)pyrimidine-2,4-dione

5-methyl-1-(propoxymethyl)pyrimidine-2,4-dione (PubChem CID 10058715) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 5-methyl-1-(propoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-(propoxymethyl)pyrimidine-2,4-dione
PubChem CID10058715
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name5-methyl-1-(propoxymethyl)pyrimidine-2,4-dione
SMILESCCCOCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O3/c1-3-4-14-6-11-5-7(2)8(12)10-9(11)13/h5H,3-4,6H2,1-2H3,(H,10,12,13)
InChIKeySRCVLMAZVJNFSQ-UHFFFAOYSA-N
XLogP0.23
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.23
H-Bond Donors ≤ 51
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 5-methyl-1-(propoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-(propoxymethyl)pyrimidine-2,4-dione (CID 10058715) is 5-methyl-1-(propoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-(propoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-(propoxymethyl)pyrimidine-2,4-dione is CCCOCn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-(propoxymethyl)pyrimidine-2,4-dione?
The InChIKey is SRCVLMAZVJNFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-4-14-6-11-5-7(2)8(12)10-9(11)13/h5H,3-4,6H2,1-2H3,(H,10,12,13).
What are the key properties of 5-methyl-1-(propoxymethyl)pyrimidine-2,4-dione?
5-methyl-1-(propoxymethyl)pyrimidine-2,4-dione has a molecular weight of 198.22 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(propoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 10058715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).