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

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

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Related Compounds

5-fluoro-1,3-dihexadecylpyrimidine-2,4-dione
CID 15579797
1,3-diethyl-5-(methylamino)pyrimidine-2,4-dione
CID 12034251
1-butyl-2,4-diethyl-3-propylpyrrole
CID 10609028
5-[[4-[bis(1,3-dioctadecyl-2,4-dioxopyrimidin-5-yl)methyl]phenyl]-(1,3-dioctadecyl-2,4-dioxopyrimidin-5-yl)methyl]-1,3-dioctadecylpyrimidine-2,4-dione
CID 101421410
6-(3-ethyl-5-fluoro-2,4-dioxopyrimidin-1-yl)hexyl prop-2-enoate
CID 166946378
5-iodo-3-nonyl-1-propylpyrimidine-2,4-dione
CID 79781251
3-(aminomethyl)-1-ethyl-6-propylpyridin-2-one
CID 105448466
2-amino-6-butyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 139682448
3-butyl-1-ethylpyrimidine-2,4-dione
CID 63812534
3-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid
CID 21406695
5-acetyl-3-methyl-1-nonylpyrimidine-2,4-dione
CID 80649763
1-ethyl-5-nitro-3-propylpyrimidine-2,4-dione
CID 142683821

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).