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

C29H31N5O3 — CID 25266436

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-[2-[2-(tritylamino)ethylamino]ethyl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCCNCCNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H31N5O3/c35-26-16-21-34(28(37)33-26)22-27(36)31-19-17-30-18-20-32-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-16,21,30,32H,17-20,22H2,(H,31,36)(H,33,35,37)
InChIKeyANTIWZCOQZSTDN-UHFFFAOYSA-N
MW497.60 g/mol
LogP1.82
Rot. Bonds12

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

2-(2,4-dioxopyrimidin-1-yl)-N-[2-[2-(tritylamino)ethylamino]ethyl]acetamide (PubChem CID 25266436) has the molecular formula C29H31N5O3 and a molecular weight of 497.60 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-[2-[2-(tritylamino)ethylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-[2-[2-(tritylamino)ethylamino]ethyl]acetamide
PubChem CID25266436
Molecular FormulaC29H31N5O3
Molecular Weight497.60 g/mol
Exact Mass497.24
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-[2-[2-(tritylamino)ethylamino]ethyl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCCNCCNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H31N5O3/c35-26-16-21-34(28(37)33-26)22-27(36)31-19-17-30-18-20-32-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-16,21,30,32H,17-20,22H2,(H,31,36)(H,33,35,37)
InChIKeyANTIWZCOQZSTDN-UHFFFAOYSA-N
XLogP1.82
TPSA108.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-[2-(tritylamino)ethylamino]ethyl]acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[2-[2-(tritylamino)ethylamino]ethyl]acetamide (CID 25266436) is 2-(2,4-dioxopyrimidin-1-yl)-N-[2-[2-(tritylamino)ethylamino]ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-[2-[2-(tritylamino)ethylamino]ethyl]acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-[2-[2-(tritylamino)ethylamino]ethyl]acetamide is O=C(Cn1ccc(=O)[nH]c1=O)NCCNCCNC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-[2-[2-(tritylamino)ethylamino]ethyl]acetamide?
The InChIKey is ANTIWZCOQZSTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O3/c35-26-16-21-34(28(37)33-26)22-27(36)31-19-17-30-18-20-32-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-16,21,30,32H,17-20,22H2,(H,31,36)(H,33,35,37).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-[2-[2-(tritylamino)ethylamino]ethyl]acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-[2-[2-(tritylamino)ethylamino]ethyl]acetamide has a molecular weight of 497.60 g/mol, XLogP of 1.82, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-[2-[2-(tritylamino)ethylamino]ethyl]acetamide is sourced from PubChem (CID 25266436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).