5-methyl-1-[2-[2-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethoxy]ethyl]pyrimidine-2,4-dione

C16H22N4O6 — CID 5256539

IUPAC5-methyl-1-[2-[2-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethoxy]ethyl]pyrimidine-2,4-dione
SMILESCc1cn(CCOCCOCCn2cc(C)c(=O)[nH]c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C16H22N4O6/c1-11-9-19(15(23)17-13(11)21)3-5-25-7-8-26-6-4-20-10-12(2)14(22)18-16(20)24/h9-10H,3-8H2,1-2H3,(H,17,21,23)(H,18,22,24)
InChIKeyHAUIEIQCAPKDRL-UHFFFAOYSA-N
MW366.37 g/mol
LogP-1.26
Rot. Bonds9

About 5-methyl-1-[2-[2-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethoxy]ethyl]pyrimidine-2,4-dione

5-methyl-1-[2-[2-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethoxy]ethyl]pyrimidine-2,4-dione (PubChem CID 5256539) has the molecular formula C16H22N4O6 and a molecular weight of 366.37 g/mol. Its IUPAC name is 5-methyl-1-[2-[2-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethoxy]ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[2-[2-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethoxy]ethyl]pyrimidine-2,4-dione
PubChem CID5256539
Molecular FormulaC16H22N4O6
Molecular Weight366.37 g/mol
Exact Mass366.15
IUPAC Name5-methyl-1-[2-[2-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethoxy]ethyl]pyrimidine-2,4-dione
SMILESCc1cn(CCOCCOCCn2cc(C)c(=O)[nH]c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C16H22N4O6/c1-11-9-19(15(23)17-13(11)21)3-5-25-7-8-26-6-4-20-10-12(2)14(22)18-16(20)24/h9-10H,3-8H2,1-2H3,(H,17,21,23)(H,18,22,24)
InChIKeyHAUIEIQCAPKDRL-UHFFFAOYSA-N
XLogP-1.26
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[2-[2-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethoxy]ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[2-[2-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethoxy]ethyl]pyrimidine-2,4-dione (CID 5256539) is 5-methyl-1-[2-[2-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethoxy]ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[2-[2-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethoxy]ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[2-[2-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethoxy]ethyl]pyrimidine-2,4-dione is Cc1cn(CCOCCOCCn2cc(C)c(=O)[nH]c2=O)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[2-[2-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethoxy]ethyl]pyrimidine-2,4-dione?
The InChIKey is HAUIEIQCAPKDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O6/c1-11-9-19(15(23)17-13(11)21)3-5-25-7-8-26-6-4-20-10-12(2)14(22)18-16(20)24/h9-10H,3-8H2,1-2H3,(H,17,21,23)(H,18,22,24).
What are the key properties of 5-methyl-1-[2-[2-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethoxy]ethyl]pyrimidine-2,4-dione?
5-methyl-1-[2-[2-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethoxy]ethyl]pyrimidine-2,4-dione has a molecular weight of 366.37 g/mol, XLogP of -1.26, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-[2-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethoxy]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 5256539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).