5-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one

C15H27N3O2 — CID 136824082

IUPAC5-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCCOCC(NC(C)c1c(C)nc(C)[nH]c1=O)C(C)C
InChIInChI=1S/C15H27N3O2/c1-7-20-8-13(9(2)3)17-11(5)14-10(4)16-12(6)18-15(14)19/h9,11,13,17H,7-8H2,1-6H3,(H,16,18,19)
InChIKeyWWFKHLPEZLVQAN-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.10
Rot. Bonds7

About 5-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 136824082) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID136824082
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name5-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCCOCC(NC(C)c1c(C)nc(C)[nH]c1=O)C(C)C
InChIInChI=1S/C15H27N3O2/c1-7-20-8-13(9(2)3)17-11(5)14-10(4)16-12(6)18-15(14)19/h9,11,13,17H,7-8H2,1-6H3,(H,16,18,19)
InChIKeyWWFKHLPEZLVQAN-UHFFFAOYSA-N
XLogP2.10
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-5-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]-1H-pyrimidin-6-one
CID 136148420
5-[1-[2-(2,2-difluoroethoxy)ethylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136852734
5-isopropyl-2-(methoxymethyl)-6-methylpyrimidin-4(3H)-one
CID 136064349
2-(ethoxymethyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 136233877
[4-Hydroxy-6-methyl-5-(1-methylethyl)pyrimidin-2-yl]methyl acetate
CID 136338095
3-(2-Methoxyethyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 97619787
2-Cyclopropyl-3-(2-methoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 97619793
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methoxyethyl)acetamide
CID 135896895
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 135896977
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 135896978
5-[1-(2-butoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 135970649
5-ethyl-4-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 135973726

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 136824082) is 5-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one is CCOCC(NC(C)c1c(C)nc(C)[nH]c1=O)C(C)C.
What is the InChIKey of 5-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is WWFKHLPEZLVQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-7-20-8-13(9(2)3)17-11(5)14-10(4)16-12(6)18-15(14)19/h9,11,13,17H,7-8H2,1-6H3,(H,16,18,19).
What are the key properties of 5-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 281.40 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136824082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).