6-[2-[(2-hydroxy-3-phenoxypropyl)-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione

C19H28N4O4 — CID 10362179

IUPAC6-[2-[(2-hydroxy-3-phenoxypropyl)-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(CCN(C)c1cc(=O)n(C)c(=O)n1C)CC(O)COc1ccccc1
InChIInChI=1S/C19H28N4O4/c1-20(13-15(24)14-27-16-8-6-5-7-9-16)10-11-21(2)17-12-18(25)23(4)19(26)22(17)3/h5-9,12,15,24H,10-11,13-14H2,1-4H3
InChIKeyJTWDSISNORGBEW-UHFFFAOYSA-N
MW376.46 g/mol
LogP-0.11
Rot. Bonds9

About 6-[2-[(2-hydroxy-3-phenoxypropyl)-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione

6-[2-[(2-hydroxy-3-phenoxypropyl)-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 10362179) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-[2-[(2-hydroxy-3-phenoxypropyl)-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-[(2-hydroxy-3-phenoxypropyl)-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID10362179
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name6-[2-[(2-hydroxy-3-phenoxypropyl)-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(CCN(C)c1cc(=O)n(C)c(=O)n1C)CC(O)COc1ccccc1
InChIInChI=1S/C19H28N4O4/c1-20(13-15(24)14-27-16-8-6-5-7-9-16)10-11-21(2)17-12-18(25)23(4)19(26)22(17)3/h5-9,12,15,24H,10-11,13-14H2,1-4H3
InChIKeyJTWDSISNORGBEW-UHFFFAOYSA-N
XLogP-0.11
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-1-[methyl-[2-(N-methylanilino)ethyl]amino]-3-phenoxypropan-2-ol
CID 98787204
(2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol
CID 10934135
1-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-(4-phenylphenoxy)propan-2-ol
CID 18278682
1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol
CID 3638612
1-[2-[bis(2-hydroxy-3-phenoxypropyl)amino]ethyl-(2-hydroxy-3-phenoxypropyl)amino]-3-phenoxypropan-2-ol
CID 4019354
ethyl 4-[2-hydroxy-3-[methyl(3-phenoxypropyl)amino]propoxy]benzoate
CID 55648671
(2S)-1-[4-[(2R)-2-hydroxy-3-(N-methylanilino)propoxy]phenoxy]-3-(N-methylanilino)propan-2-ol
CID 1232760
1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 117068437
(2R)-1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 94391448
1-[methyl(3-phenoxypropyl)amino]butan-2-ol
CID 142108769
1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-phenoxypropan-2-ol
CID 78805399
4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide
CID 109415224

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2-hydroxy-3-phenoxypropyl)-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[2-[(2-hydroxy-3-phenoxypropyl)-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione (CID 10362179) is 6-[2-[(2-hydroxy-3-phenoxypropyl)-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-[(2-hydroxy-3-phenoxypropyl)-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[2-[(2-hydroxy-3-phenoxypropyl)-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione is CN(CCN(C)c1cc(=O)n(C)c(=O)n1C)CC(O)COc1ccccc1.
What is the InChIKey of 6-[2-[(2-hydroxy-3-phenoxypropyl)-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is JTWDSISNORGBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-20(13-15(24)14-27-16-8-6-5-7-9-16)10-11-21(2)17-12-18(25)23(4)19(26)22(17)3/h5-9,12,15,24H,10-11,13-14H2,1-4H3.
What are the key properties of 6-[2-[(2-hydroxy-3-phenoxypropyl)-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione?
6-[2-[(2-hydroxy-3-phenoxypropyl)-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 376.46 g/mol, XLogP of -0.11, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2-hydroxy-3-phenoxypropyl)-methylamino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 10362179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).