ethyl 2-[5-methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2,4-dioxopyrimidin-1-yl]acetate

C18H29N5O5 — CID 163462015

IUPACethyl 2-[5-methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2,4-dioxopyrimidin-1-yl]acetate
SMILESCCOC(=O)Cn1cc(C)c(=O)n(CCNC(=O)CN2CCN(C)CC2)c1=O
InChIInChI=1S/C18H29N5O5/c1-4-28-16(25)13-22-11-14(2)17(26)23(18(22)27)6-5-19-15(24)12-21-9-7-20(3)8-10-21/h11H,4-10,12-13H2,1-3H3,(H,19,24)
InChIKeyBPKGGYVDQYMOCT-UHFFFAOYSA-N
MW395.46 g/mol
LogP-1.75
Rot. Bonds8

About ethyl 2-[5-methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2,4-dioxopyrimidin-1-yl]acetate

ethyl 2-[5-methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2,4-dioxopyrimidin-1-yl]acetate (PubChem CID 163462015) has the molecular formula C18H29N5O5 and a molecular weight of 395.46 g/mol. Its IUPAC name is ethyl 2-[5-methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2,4-dioxopyrimidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2,4-dioxopyrimidin-1-yl]acetate
PubChem CID163462015
Molecular FormulaC18H29N5O5
Molecular Weight395.46 g/mol
Exact Mass395.22
IUPAC Nameethyl 2-[5-methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2,4-dioxopyrimidin-1-yl]acetate
SMILESCCOC(=O)Cn1cc(C)c(=O)n(CCNC(=O)CN2CCN(C)CC2)c1=O
InChIInChI=1S/C18H29N5O5/c1-4-28-16(25)13-22-11-14(2)17(26)23(18(22)27)6-5-19-15(24)12-21-9-7-20(3)8-10-21/h11H,4-10,12-13H2,1-3H3,(H,19,24)
InChIKeyBPKGGYVDQYMOCT-UHFFFAOYSA-N
XLogP-1.75
TPSA105.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 5-1.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[5-methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2,4-dioxopyrimidin-1-yl]acetate with MolForge

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Related Compounds

2-[3-[5-methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2,6-dioxopyrimidin-1-yl]prop-1-en-2-ylamino]-3-(trioxidanylsulfanyl)propanoic acid;2-[5-methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-3-(trioxidanylsulfanyl)propyl]-2,4-dioxopyrimidin-1-yl]acetic acid
CID 159293875
ethyl 2-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]acetate
CID 18415006
bis(N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide);methane
CID 157343011
2-[4,7-bis(carboxymethyl)-10-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 118499456
N-[2-(2-aminoethoxy)ethyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 175195064
ethane;ethyl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 156869233
sodium;ethyl 2-[4,7,10-tris(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;iodide
CID 23722784
ethyl 2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)acetate
CID 55240716
ethyl 5-methyl-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 22197629
ethyl 4-[[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetyl]amino]butanoate
CID 86915626
N-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 43509649
2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 120640503

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2,4-dioxopyrimidin-1-yl]acetate?
The IUPAC name of ethyl 2-[5-methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2,4-dioxopyrimidin-1-yl]acetate (CID 163462015) is ethyl 2-[5-methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2,4-dioxopyrimidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2,4-dioxopyrimidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2,4-dioxopyrimidin-1-yl]acetate is CCOC(=O)Cn1cc(C)c(=O)n(CCNC(=O)CN2CCN(C)CC2)c1=O.
What is the InChIKey of ethyl 2-[5-methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2,4-dioxopyrimidin-1-yl]acetate?
The InChIKey is BPKGGYVDQYMOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O5/c1-4-28-16(25)13-22-11-14(2)17(26)23(18(22)27)6-5-19-15(24)12-21-9-7-20(3)8-10-21/h11H,4-10,12-13H2,1-3H3,(H,19,24).
What are the key properties of ethyl 2-[5-methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2,4-dioxopyrimidin-1-yl]acetate?
ethyl 2-[5-methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2,4-dioxopyrimidin-1-yl]acetate has a molecular weight of 395.46 g/mol, XLogP of -1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2,4-dioxopyrimidin-1-yl]acetate is sourced from PubChem (CID 163462015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).