1-O-[2-(1-acetyl-3-oxopiperazin-2-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;4-O-[2-(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl] 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[[(2S)-3,6-dioxopiperazin-2-yl]methyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;bis(4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate);methane

C94H99N23O43 — CID 159055568

IUPAC1-O-[2-(1-acetyl-3-oxopiperazin-2-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;4-O-[2-(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl] 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[[(2S)-3,6-dioxopiperazin-2-yl]methyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;bis(4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate);methane
SMILESC.C=C1NC=C(COC(=O)/C=C/C(=O)OC2CC(=O)NC2=O)C(=O)N1.C=C1NC=C(COC(=O)/C=C/C(=O)OC2CC(=O)NC2=O)C(=O)N1.C=C1NC=C(COC(=O)/C=C/C(=O)OCC(=O)c2c(N)[nH]c(=O)[nH]c2=O)C(=O)N1.C=C1NC=C(COC(=O)/C=C/C(=O)OCCC2C(=O)NCCN2C(C)=O)C(=O)N1.C=C1NC=C(COC(=O)/C=C/C(=O)OCCc2c[nH]c(=O)[nH]c2=O)C(=O)N1.C=C1NC=C(COC(=O)/C=C/C(=O)OC[C@@H]2NC(=O)CNC2=O)C(=O)N1
InChIInChI=1S/C18H22N4O7.C16H15N5O8.C16H16N4O7.C15H16N4O7.2C14H13N3O7.CH4/c1-11-20-9-13(17(26)21-11)10-29-16(25)4-3-15(24)28-8-5-14-18(27)19-6-7-22(14)12(2)23;1-7-18-4-8(14(25)19-7)5-28-10(23)2-3-11(24)29-6-9(22)12-13(17)20-16(27)21-15(12)26;1-9-17-7-11(15(24)19-9)8-27-13(22)3-2-12(21)26-5-4-10-6-18-16(25)20-14(10)23;1-8-16-4-9(14(23)18-8)6-25-12(21)2-3-13(22)26-7-10-15(24)17-5-11(20)19-10;2*1-7-15-5-8(13(21)16-7)6-23-11(19)2-3-12(20)24-9-4-10(18)17-14(9)22;/h3-4,9,14,20H,1,5-8,10H2,2H3,(H,19,27)(H,21,26);2-4,18H,1,5-6H2,(H,19,25)(H4,17,20,21,26,27);2-3,6-7,17H,1,4-5,8H2,(H,19,24)(H2,18,20,23,25);2-4,10,16H,1,5-7H2,(H,17,24)(H,18,23)(H,19,20);2*2-3,5,9,15H,1,4,6H2,(H,16,21)(H,17,18,22);1H4/b4-3+;5*3-2+;/t;;;10-;;;/m...0.../s1
InChIKeyJXUUIMLHYYPCGB-LNQUOYKZSA-N
MW2238.94 g/mol
LogP-11.50
Rot. Bonds37

About 1-O-[2-(1-acetyl-3-oxopiperazin-2-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;4-O-[2-(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl] 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[[(2S)-3,6-dioxopiperazin-2-yl]methyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;bis(4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate);methane

1-O-[2-(1-acetyl-3-oxopiperazin-2-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;4-O-[2-(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl] 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[[(2S)-3,6-dioxopiperazin-2-yl]methyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;bis(4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate);methane (PubChem CID 159055568) has the molecular formula C94H99N23O43 and a molecular weight of 2238.94 g/mol. Its IUPAC name is 1-O-[2-(1-acetyl-3-oxopiperazin-2-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;4-O-[2-(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl] 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[[(2S)-3,6-dioxopiperazin-2-yl]methyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;bis(4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate);methane.

Molecular Properties

Compound Name1-O-[2-(1-acetyl-3-oxopiperazin-2-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;4-O-[2-(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl] 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[[(2S)-3,6-dioxopiperazin-2-yl]methyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;bis(4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate);methane
PubChem CID159055568
Molecular FormulaC94H99N23O43
Molecular Weight2238.94 g/mol
Exact Mass2237.63
IUPAC Name1-O-[2-(1-acetyl-3-oxopiperazin-2-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;4-O-[2-(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl] 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[[(2S)-3,6-dioxopiperazin-2-yl]methyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;bis(4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate);methane
SMILESC.C=C1NC=C(COC(=O)/C=C/C(=O)OC2CC(=O)NC2=O)C(=O)N1.C=C1NC=C(COC(=O)/C=C/C(=O)OC2CC(=O)NC2=O)C(=O)N1.C=C1NC=C(COC(=O)/C=C/C(=O)OCC(=O)c2c(N)[nH]c(=O)[nH]c2=O)C(=O)N1.C=C1NC=C(COC(=O)/C=C/C(=O)OCCC2C(=O)NCCN2C(C)=O)C(=O)N1.C=C1NC=C(COC(=O)/C=C/C(=O)OCCc2c[nH]c(=O)[nH]c2=O)C(=O)N1.C=C1NC=C(COC(=O)/C=C/C(=O)OC[C@@H]2NC(=O)CNC2=O)C(=O)N1
InChIInChI=1S/C18H22N4O7.C16H15N5O8.C16H16N4O7.C15H16N4O7.2C14H13N3O7.CH4/c1-11-20-9-13(17(26)21-11)10-29-16(25)4-3-15(24)28-8-5-14-18(27)19-6-7-22(14)12(2)23;1-7-18-4-8(14(25)19-7)5-28-10(23)2-3-11(24)29-6-9(22)12-13(17)20-16(27)21-15(12)26;1-9-17-7-11(15(24)19-9)8-27-13(22)3-2-12(21)26-5-4-10-6-18-16(25)20-14(10)23;1-8-16-4-9(14(23)18-8)6-25-12(21)2-3-13(22)26-7-10-15(24)17-5-11(20)19-10;2*1-7-15-5-8(13(21)16-7)6-23-11(19)2-3-12(20)24-9-4-10(18)17-14(9)22;/h3-4,9,14,20H,1,5-8,10H2,2H3,(H,19,27)(H,21,26);2-4,18H,1,5-6H2,(H,19,25)(H4,17,20,21,26,27);2-3,6-7,17H,1,4-5,8H2,(H,19,24)(H2,18,20,23,25);2-4,10,16H,1,5-7H2,(H,17,24)(H,18,23)(H,19,20);2*2-3,5,9,15H,1,4,6H2,(H,16,21)(H,17,18,22);1H4/b4-3+;5*3-2+;/t;;;10-;;;/m...0.../s1
InChIKeyJXUUIMLHYYPCGB-LNQUOYKZSA-N
XLogP-11.50
TPSA936.86 Ų
H-Bond Donors22
H-Bond Acceptors50
Rotatable Bonds37
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002238.94
LogP ≤ 5-11.50
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-O-[2-(1-acetyl-3-oxopiperazin-2-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;4-O-[2-(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl] 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[[(2S)-3,6-dioxopiperazin-2-yl]methyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;bis(4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate);methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-O-[2-(1-acetyl-3-oxopiperazin-2-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;4-O-[2-(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl] 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[[(2S)-3,6-dioxopiperazin-2-yl]methyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;bis(4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate);methane?
The IUPAC name of 1-O-[2-(1-acetyl-3-oxopiperazin-2-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;4-O-[2-(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl] 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[[(2S)-3,6-dioxopiperazin-2-yl]methyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;bis(4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate);methane (CID 159055568) is 1-O-[2-(1-acetyl-3-oxopiperazin-2-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;4-O-[2-(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl] 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[[(2S)-3,6-dioxopiperazin-2-yl]methyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;bis(4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate);methane.
What is the SMILES notation for 1-O-[2-(1-acetyl-3-oxopiperazin-2-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;4-O-[2-(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl] 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[[(2S)-3,6-dioxopiperazin-2-yl]methyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;bis(4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate);methane?
The canonical SMILES for 1-O-[2-(1-acetyl-3-oxopiperazin-2-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;4-O-[2-(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl] 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[[(2S)-3,6-dioxopiperazin-2-yl]methyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;bis(4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate);methane is C.C=C1NC=C(COC(=O)/C=C/C(=O)OC2CC(=O)NC2=O)C(=O)N1.C=C1NC=C(COC(=O)/C=C/C(=O)OC2CC(=O)NC2=O)C(=O)N1.C=C1NC=C(COC(=O)/C=C/C(=O)OCC(=O)c2c(N)[nH]c(=O)[nH]c2=O)C(=O)N1.C=C1NC=C(COC(=O)/C=C/C(=O)OCCC2C(=O)NCCN2C(C)=O)C(=O)N1.C=C1NC=C(COC(=O)/C=C/C(=O)OCCc2c[nH]c(=O)[nH]c2=O)C(=O)N1.C=C1NC=C(COC(=O)/C=C/C(=O)OC[C@@H]2NC(=O)CNC2=O)C(=O)N1.
What is the InChIKey of 1-O-[2-(1-acetyl-3-oxopiperazin-2-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;4-O-[2-(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl] 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[[(2S)-3,6-dioxopiperazin-2-yl]methyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;bis(4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate);methane?
The InChIKey is JXUUIMLHYYPCGB-LNQUOYKZSA-N. The full InChI is InChI=1S/C18H22N4O7.C16H15N5O8.C16H16N4O7.C15H16N4O7.2C14H13N3O7.CH4/c1-11-20-9-13(17(26)21-11)10-29-16(25)4-3-15(24)28-8-5-14-18(27)19-6-7-22(14)12(2)23;1-7-18-4-8(14(25)19-7)5-28-10(23)2-3-11(24)29-6-9(22)12-13(17)20-16(27)21-15(12)26;1-9-17-7-11(15(24)19-9)8-27-13(22)3-2-12(21)26-5-4-10-6-18-16(25)20-14(10)23;1-8-16-4-9(14(23)18-8)6-25-12(21)2-3-13(22)26-7-10-15(24)17-5-11(20)19-10;2*1-7-15-5-8(13(21)16-7)6-23-11(19)2-3-12(20)24-9-4-10(18)17-14(9)22;/h3-4,9,14,20H,1,5-8,10H2,2H3,(H,19,27)(H,21,26);2-4,18H,1,5-6H2,(H,19,25)(H4,17,20,21,26,27);2-3,6-7,17H,1,4-5,8H2,(H,19,24)(H2,18,20,23,25);2-4,10,16H,1,5-7H2,(H,17,24)(H,18,23)(H,19,20);2*2-3,5,9,15H,1,4,6H2,(H,16,21)(H,17,18,22);1H4/b4-3+;5*3-2+;/t;;;10-;;;/m...0.../s1.
What are the key properties of 1-O-[2-(1-acetyl-3-oxopiperazin-2-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;4-O-[2-(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl] 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[[(2S)-3,6-dioxopiperazin-2-yl]methyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;bis(4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate);methane?
1-O-[2-(1-acetyl-3-oxopiperazin-2-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;4-O-[2-(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl] 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[[(2S)-3,6-dioxopiperazin-2-yl]methyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;bis(4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate);methane has a molecular weight of 2238.94 g/mol, XLogP of -11.50, 37 rotatable bonds, 22 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[2-(1-acetyl-3-oxopiperazin-2-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;4-O-[2-(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl] 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[[(2S)-3,6-dioxopiperazin-2-yl]methyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;1-O-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl] 4-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate;bis(4-O-(2,5-dioxopyrrolidin-3-yl) 1-O-[(2-methylidene-4-oxo-1H-pyrimidin-5-yl)methyl] (E)-but-2-enedioate);methane is sourced from PubChem (CID 159055568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).