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

C18H26N4O4 — CID 12818859

IUPAC6-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione
SMILESCc1c(NCCNCC(O)COc2ccccc2)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C18H26N4O4/c1-13-16(21(2)18(25)22(3)17(13)24)20-10-9-19-11-14(23)12-26-15-7-5-4-6-8-15/h4-8,14,19-20,23H,9-12H2,1-3H3
InChIKeyOOOFIYIJUCEZER-UHFFFAOYSA-N
MW362.43 g/mol
LogP-0.17
Rot. Bonds9

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

6-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione (PubChem CID 12818859) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione
PubChem CID12818859
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name6-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione
SMILESCc1c(NCCNCC(O)COc2ccccc2)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C18H26N4O4/c1-13-16(21(2)18(25)22(3)17(13)24)20-10-9-19-11-14(23)12-26-15-7-5-4-6-8-15/h4-8,14,19-20,23H,9-12H2,1-3H3
InChIKeyOOOFIYIJUCEZER-UHFFFAOYSA-N
XLogP-0.17
TPSA97.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethylamino]-1,2,4-trimethylpyrazol-3-one
CID 12818856
(E)-but-2-enedioic acid;6-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethylamino]-1,3-dimethyl-5-phenylpyrimidine-2,4-dione
CID 70584701
bis[1-phenoxy-3-[2-[(1,2,4-trimethyl-5-oxopyrazol-3-yl)amino]ethylamino]propan-2-yl] oxalate
CID 70454204
(2S)-1-phenoxy-3-[2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethylamino]propan-2-ol
CID 76959364
1-phenoxy-3-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethylamino]propan-2-ol
CID 12818857
(E)-4-[1-[2-[(1,3-dimethyl-2,6-dioxo-5-phenylpyrimidin-4-yl)amino]ethylamino]-3-phenoxypropan-2-yl]oxy-4-oxobut-2-enoic acid
CID 70454392
6-[2-[[2-hydroxy-3-(4-pentoxyphenoxy)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione
CID 23349133
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
7-[(2-hydroxy-3-phenoxypropyl)amino]heptanoic acid
CID 3304910
5-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpentan-1-ol
CID 106160109
6-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione
CID 23349126
1-[2-(2,6-dichloroanilino)ethylamino]-3-phenoxypropan-2-ol
CID 3054449

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione (CID 12818859) is 6-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione is Cc1c(NCCNCC(O)COc2ccccc2)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione?
The InChIKey is OOOFIYIJUCEZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-13-16(21(2)18(25)22(3)17(13)24)20-10-9-19-11-14(23)12-26-15-7-5-4-6-8-15/h4-8,14,19-20,23H,9-12H2,1-3H3.
What are the key properties of 6-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione?
6-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione has a molecular weight of 362.43 g/mol, XLogP of -0.17, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethylamino]-1,3,5-trimethylpyrimidine-2,4-dione is sourced from PubChem (CID 12818859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).