5-(octoxymethyl)-1H-pyrimidine-2,4-dione

C13H22N2O3 — CID 15334165

IUPAC5-(octoxymethyl)-1H-pyrimidine-2,4-dione
SMILESCCCCCCCCOCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H22N2O3/c1-2-3-4-5-6-7-8-18-10-11-9-14-13(17)15-12(11)16/h9H,2-8,10H2,1H3,(H2,14,15,16,17)
InChIKeyLSTIBSNSSLYTDY-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.94
Rot. Bonds9

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

5-(octoxymethyl)-1H-pyrimidine-2,4-dione (PubChem CID 15334165) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-(octoxymethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(octoxymethyl)-1H-pyrimidine-2,4-dione
PubChem CID15334165
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name5-(octoxymethyl)-1H-pyrimidine-2,4-dione
SMILESCCCCCCCCOCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H22N2O3/c1-2-3-4-5-6-7-8-18-10-11-9-14-13(17)15-12(11)16/h9H,2-8,10H2,1H3,(H2,14,15,16,17)
InChIKeyLSTIBSNSSLYTDY-UHFFFAOYSA-N
XLogP1.94
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(octoxymethyl)-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-bromobut-3-enoxymethyl)-1H-pyrimidine-2,4-dione
CID 173248084
3-(octacosoxymethyl)-1H-indole
CID 11512197
5-tridecan-7-yl-1H-pyrimidine-2,4-dione
CID 170289085
2,5-bis(octoxymethyl)benzene-1,4-diamine
CID 100995766
5-undecan-5-yl-1H-pyrimidine-2,4-dione
CID 167307336
2-(decoxymethyl)-5-methoxy-1H-pyridin-4-one
CID 13376046
5-(decoxymethyl)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 56595224
3-(2-butoxyethoxymethyl)-1H-indole
CID 170026561
5-(diethoxyphosphorylmethyl)-1H-pyrimidine-2,4-dione
CID 10515594
3-(10-pentoxydecyl)-1H-quinolin-2-one
CID 139729721
5-fluoro-1H-pyrimidine-2,4-dione;oct-1-ene
CID 118491878
bis(5-(hydroxymethyl)-1H-pyrimidine-2,4-dione);hydrate
CID 70550921

Frequently Asked Questions

What is the IUPAC name of 5-(octoxymethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(octoxymethyl)-1H-pyrimidine-2,4-dione (CID 15334165) is 5-(octoxymethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(octoxymethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(octoxymethyl)-1H-pyrimidine-2,4-dione is CCCCCCCCOCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(octoxymethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is LSTIBSNSSLYTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-3-4-5-6-7-8-18-10-11-9-14-13(17)15-12(11)16/h9H,2-8,10H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-(octoxymethyl)-1H-pyrimidine-2,4-dione?
5-(octoxymethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 254.33 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(octoxymethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 15334165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).