3-ethyl-1-[3-(3-ethyl-2,4-dioxo-5-propylpyrimidin-1-yl)propyl]-5-propylpyrimidine-2,4-dione

C21H32N4O4 — CID 71396175

IUPAC3-ethyl-1-[3-(3-ethyl-2,4-dioxo-5-propylpyrimidin-1-yl)propyl]-5-propylpyrimidine-2,4-dione
SMILESCCCc1cn(CCCn2cc(CCC)c(=O)n(CC)c2=O)c(=O)n(CC)c1=O
InChIInChI=1S/C21H32N4O4/c1-5-10-16-14-22(20(28)24(7-3)18(16)26)12-9-13-23-15-17(11-6-2)19(27)25(8-4)21(23)29/h14-15H,5-13H2,1-4H3
InChIKeyCUXWRMDZGDBNFE-UHFFFAOYSA-N
MW404.51 g/mol
LogP1.37
Rot. Bonds10

About 3-ethyl-1-[3-(3-ethyl-2,4-dioxo-5-propylpyrimidin-1-yl)propyl]-5-propylpyrimidine-2,4-dione

3-ethyl-1-[3-(3-ethyl-2,4-dioxo-5-propylpyrimidin-1-yl)propyl]-5-propylpyrimidine-2,4-dione (PubChem CID 71396175) has the molecular formula C21H32N4O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-ethyl-1-[3-(3-ethyl-2,4-dioxo-5-propylpyrimidin-1-yl)propyl]-5-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-1-[3-(3-ethyl-2,4-dioxo-5-propylpyrimidin-1-yl)propyl]-5-propylpyrimidine-2,4-dione
PubChem CID71396175
Molecular FormulaC21H32N4O4
Molecular Weight404.51 g/mol
Exact Mass404.24
IUPAC Name3-ethyl-1-[3-(3-ethyl-2,4-dioxo-5-propylpyrimidin-1-yl)propyl]-5-propylpyrimidine-2,4-dione
SMILESCCCc1cn(CCCn2cc(CCC)c(=O)n(CC)c2=O)c(=O)n(CC)c1=O
InChIInChI=1S/C21H32N4O4/c1-5-10-16-14-22(20(28)24(7-3)18(16)26)12-9-13-23-15-17(11-6-2)19(27)25(8-4)21(23)29/h14-15H,5-13H2,1-4H3
InChIKeyCUXWRMDZGDBNFE-UHFFFAOYSA-N
XLogP1.37
TPSA88.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[3-(3-ethyl-2,4-dioxo-5-propylpyrimidin-1-yl)propyl]-5-propylpyrimidine-2,4-dione?
The IUPAC name of 3-ethyl-1-[3-(3-ethyl-2,4-dioxo-5-propylpyrimidin-1-yl)propyl]-5-propylpyrimidine-2,4-dione (CID 71396175) is 3-ethyl-1-[3-(3-ethyl-2,4-dioxo-5-propylpyrimidin-1-yl)propyl]-5-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-ethyl-1-[3-(3-ethyl-2,4-dioxo-5-propylpyrimidin-1-yl)propyl]-5-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-ethyl-1-[3-(3-ethyl-2,4-dioxo-5-propylpyrimidin-1-yl)propyl]-5-propylpyrimidine-2,4-dione is CCCc1cn(CCCn2cc(CCC)c(=O)n(CC)c2=O)c(=O)n(CC)c1=O.
What is the InChIKey of 3-ethyl-1-[3-(3-ethyl-2,4-dioxo-5-propylpyrimidin-1-yl)propyl]-5-propylpyrimidine-2,4-dione?
The InChIKey is CUXWRMDZGDBNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O4/c1-5-10-16-14-22(20(28)24(7-3)18(16)26)12-9-13-23-15-17(11-6-2)19(27)25(8-4)21(23)29/h14-15H,5-13H2,1-4H3.
What are the key properties of 3-ethyl-1-[3-(3-ethyl-2,4-dioxo-5-propylpyrimidin-1-yl)propyl]-5-propylpyrimidine-2,4-dione?
3-ethyl-1-[3-(3-ethyl-2,4-dioxo-5-propylpyrimidin-1-yl)propyl]-5-propylpyrimidine-2,4-dione has a molecular weight of 404.51 g/mol, XLogP of 1.37, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[3-(3-ethyl-2,4-dioxo-5-propylpyrimidin-1-yl)propyl]-5-propylpyrimidine-2,4-dione is sourced from PubChem (CID 71396175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).