6-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione

C17H24N4O4 — CID 54357646

IUPAC6-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione
SMILESCc1c(NCCNCC(O)c2cccc(O)c2)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C17H24N4O4/c1-11-15(20(2)17(25)21(3)16(11)24)19-8-7-18-10-14(23)12-5-4-6-13(22)9-12/h4-6,9,14,18-19,22-23H,7-8,10H2,1-3H3
InChIKeyUKFYOYIUESGZIB-UHFFFAOYSA-N
MW348.40 g/mol
LogP-0.17
Rot. Bonds7

About 6-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione

6-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione (PubChem CID 54357646) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 6-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione
PubChem CID54357646
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name6-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione
SMILESCc1c(NCCNCC(O)c2cccc(O)c2)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C17H24N4O4/c1-11-15(20(2)17(25)21(3)16(11)24)19-8-7-18-10-14(23)12-5-4-6-13(22)9-12/h4-6,9,14,18-19,22-23H,7-8,10H2,1-3H3
InChIKeyUKFYOYIUESGZIB-UHFFFAOYSA-N
XLogP-0.17
TPSA108.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione (CID 54357646) is 6-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione is Cc1c(NCCNCC(O)c2cccc(O)c2)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione?
The InChIKey is UKFYOYIUESGZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-11-15(20(2)17(25)21(3)16(11)24)19-8-7-18-10-14(23)12-5-4-6-13(22)9-12/h4-6,9,14,18-19,22-23H,7-8,10H2,1-3H3.
What are the key properties of 6-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione?
6-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione has a molecular weight of 348.40 g/mol, XLogP of -0.17, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione is sourced from PubChem (CID 54357646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).