2-(2,4-dioxopyrimidin-1-yl)-N-[2-(tritylamino)ethyl]acetamide

C27H26N4O3 — CID 25266094

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-[2-(tritylamino)ethyl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCCNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26N4O3/c32-24-16-19-31(26(34)30-24)20-25(33)28-17-18-29-27(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-16,19,29H,17-18,20H2,(H,28,33)(H,30,32,34)
InChIKeyMPALOUNFIMGRFT-UHFFFAOYSA-N
MW454.53 g/mol
LogP2.23
Rot. Bonds9

About 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(tritylamino)ethyl]acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-[2-(tritylamino)ethyl]acetamide (PubChem CID 25266094) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(tritylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-[2-(tritylamino)ethyl]acetamide
PubChem CID25266094
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-[2-(tritylamino)ethyl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCCNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26N4O3/c32-24-16-19-31(26(34)30-24)20-25(33)28-17-18-29-27(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-16,19,29H,17-18,20H2,(H,28,33)(H,30,32,34)
InChIKeyMPALOUNFIMGRFT-UHFFFAOYSA-N
XLogP2.23
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(tritylamino)ethyl]acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(tritylamino)ethyl]acetamide (CID 25266094) is 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(tritylamino)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(tritylamino)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(tritylamino)ethyl]acetamide is O=C(Cn1ccc(=O)[nH]c1=O)NCCNC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(tritylamino)ethyl]acetamide?
The InChIKey is MPALOUNFIMGRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c32-24-16-19-31(26(34)30-24)20-25(33)28-17-18-29-27(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-16,19,29H,17-18,20H2,(H,28,33)(H,30,32,34).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(tritylamino)ethyl]acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(tritylamino)ethyl]acetamide has a molecular weight of 454.53 g/mol, XLogP of 2.23, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(tritylamino)ethyl]acetamide is sourced from PubChem (CID 25266094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).