2-[(2R,4R)-2-(aminomethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]-N-[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2S,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]acetamide

C54H72N20O14 — CID 101086687

IUPAC2-[(2R,4R)-2-(aminomethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]-N-[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2S,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]acetamide
SMILESCc1cn([C@@H]2C[C@H](CN)N(CC(=O)N[C@H]3C[C@@H](n4cc(C)c(=O)[nH]c4=O)CN3CC(=O)N[C@H]3C[C@@H](n4cc(C)c(=O)[nH]c4=O)CN3CC(=O)N[C@H]3C[C@@H](n4cc(C)c(=O)[nH]c4=O)CN3CC(=O)N[C@H]3C[C@@H](n4cc(C)c(=O)[nH]c4=O)CN3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C54H72N20O14/c1-26-13-70(50(84)61-45(26)79)32-7-37(56-12-32)57-41(75)23-67-19-34(72-15-28(3)47(81)63-52(72)86)9-39(67)59-43(77)25-69-21-36(74-17-30(5)49(83)65-54(74)88)10-40(69)60-44(78)24-68-20-35(73-16-29(4)48(82)64-53(73)87)8-38(68)58-42(76)22-66-18-33(6-31(66)11-55)71-14-27(2)46(80)62-51(71)85/h13-17,31-40,56H,6-12,18-25,55H2,1-5H3,(H,57,75)(H,58,76)(H,59,77)(H,60,78)(H,61,79,84)(H,62,80,85)(H,63,81,86)(H,64,82,87)(H,65,83,88)/t31-,32-,33-,34-,35-,36-,37+,38-,39-,40-/m1/s1
InChIKeyNOMSHIWHOZWXPD-UCZJMFRRSA-N
MW1225.30 g/mol
LogP-7.10
Rot. Bonds18

About 2-[(2R,4R)-2-(aminomethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]-N-[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2S,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]acetamide

2-[(2R,4R)-2-(aminomethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]-N-[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2S,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]acetamide (PubChem CID 101086687) has the molecular formula C54H72N20O14 and a molecular weight of 1225.30 g/mol. Its IUPAC name is 2-[(2R,4R)-2-(aminomethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]-N-[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2S,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R,4R)-2-(aminomethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]-N-[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2S,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]acetamide
PubChem CID101086687
Molecular FormulaC54H72N20O14
Molecular Weight1225.30 g/mol
Exact Mass1224.55
IUPAC Name2-[(2R,4R)-2-(aminomethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]-N-[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2S,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]acetamide
SMILESCc1cn([C@@H]2C[C@H](CN)N(CC(=O)N[C@H]3C[C@@H](n4cc(C)c(=O)[nH]c4=O)CN3CC(=O)N[C@H]3C[C@@H](n4cc(C)c(=O)[nH]c4=O)CN3CC(=O)N[C@H]3C[C@@H](n4cc(C)c(=O)[nH]c4=O)CN3CC(=O)N[C@H]3C[C@@H](n4cc(C)c(=O)[nH]c4=O)CN3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C54H72N20O14/c1-26-13-70(50(84)61-45(26)79)32-7-37(56-12-32)57-41(75)23-67-19-34(72-15-28(3)47(81)63-52(72)86)9-39(67)59-43(77)25-69-21-36(74-17-30(5)49(83)65-54(74)88)10-40(69)60-44(78)24-68-20-35(73-16-29(4)48(82)64-53(73)87)8-38(68)58-42(76)22-66-18-33(6-31(66)11-55)71-14-27(2)46(80)62-51(71)85/h13-17,31-40,56H,6-12,18-25,55H2,1-5H3,(H,57,75)(H,58,76)(H,59,77)(H,60,78)(H,61,79,84)(H,62,80,85)(H,63,81,86)(H,64,82,87)(H,65,83,88)/t31-,32-,33-,34-,35-,36-,37+,38-,39-,40-/m1/s1
InChIKeyNOMSHIWHOZWXPD-UCZJMFRRSA-N
XLogP-7.10
TPSA441.71 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001225.30
LogP ≤ 5-7.10
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Analyze 2-[(2R,4R)-2-(aminomethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]-N-[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2S,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-2-(aminomethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]-N-[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2S,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]acetamide?
The IUPAC name of 2-[(2R,4R)-2-(aminomethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]-N-[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2S,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]acetamide (CID 101086687) is 2-[(2R,4R)-2-(aminomethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]-N-[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2S,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2R,4R)-2-(aminomethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]-N-[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2S,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]acetamide?
The canonical SMILES for 2-[(2R,4R)-2-(aminomethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]-N-[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2S,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]acetamide is Cc1cn([C@@H]2C[C@H](CN)N(CC(=O)N[C@H]3C[C@@H](n4cc(C)c(=O)[nH]c4=O)CN3CC(=O)N[C@H]3C[C@@H](n4cc(C)c(=O)[nH]c4=O)CN3CC(=O)N[C@H]3C[C@@H](n4cc(C)c(=O)[nH]c4=O)CN3CC(=O)N[C@H]3C[C@@H](n4cc(C)c(=O)[nH]c4=O)CN3)C2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(2R,4R)-2-(aminomethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]-N-[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2S,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]acetamide?
The InChIKey is NOMSHIWHOZWXPD-UCZJMFRRSA-N. The full InChI is InChI=1S/C54H72N20O14/c1-26-13-70(50(84)61-45(26)79)32-7-37(56-12-32)57-41(75)23-67-19-34(72-15-28(3)47(81)63-52(72)86)9-39(67)59-43(77)25-69-21-36(74-17-30(5)49(83)65-54(74)88)10-40(69)60-44(78)24-68-20-35(73-16-29(4)48(82)64-53(73)87)8-38(68)58-42(76)22-66-18-33(6-31(66)11-55)71-14-27(2)46(80)62-51(71)85/h13-17,31-40,56H,6-12,18-25,55H2,1-5H3,(H,57,75)(H,58,76)(H,59,77)(H,60,78)(H,61,79,84)(H,62,80,85)(H,63,81,86)(H,64,82,87)(H,65,83,88)/t31-,32-,33-,34-,35-,36-,37+,38-,39-,40-/m1/s1.
What are the key properties of 2-[(2R,4R)-2-(aminomethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]-N-[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2S,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]acetamide?
2-[(2R,4R)-2-(aminomethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]-N-[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2S,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]acetamide has a molecular weight of 1225.30 g/mol, XLogP of -7.10, 18 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-2-(aminomethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]-N-[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-[2-[[(2S,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]amino]-2-oxoethyl]pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 101086687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).