2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-1-[2-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone

C20H32N4O3 — CID 46966341

IUPAC2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-1-[2-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone
SMILESCOc1nc(C)c(CC(=O)N2CCCCC2CN2CCCCC2)c(OC)n1
InChIInChI=1S/C20H32N4O3/c1-15-17(19(26-2)22-20(21-15)27-3)13-18(25)24-12-8-5-9-16(24)14-23-10-6-4-7-11-23/h16H,4-14H2,1-3H3
InChIKeyTUGMCUMFKINOQF-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.21
Rot. Bonds6

About 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-1-[2-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone

2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-1-[2-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 46966341) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-1-[2-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-1-[2-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone
PubChem CID46966341
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-1-[2-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone
SMILESCOc1nc(C)c(CC(=O)N2CCCCC2CN2CCCCC2)c(OC)n1
InChIInChI=1S/C20H32N4O3/c1-15-17(19(26-2)22-20(21-15)27-3)13-18(25)24-12-8-5-9-16(24)14-23-10-6-4-7-11-23/h16H,4-14H2,1-3H3
InChIKeyTUGMCUMFKINOQF-UHFFFAOYSA-N
XLogP2.21
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 51095038
2-(4-methoxy-3-methylphenyl)-1-[2-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 46981954
2-[4-(4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 51504669
5-[2-[2-(hydroxymethyl)azepan-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 116635867
2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 16677625
2-(2,5-dimethyl-1H-indol-3-yl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 92560101
2-(4-hydroxyphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 14810985
2-[4-(4-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 92564191
2-[4-(4-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 46955328
3-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137150707
1-[2-(azepan-1-ylmethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 46957693
3-amino-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 83620444

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-1-[2-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-1-[2-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone (CID 46966341) is 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-1-[2-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-1-[2-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-1-[2-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone is COc1nc(C)c(CC(=O)N2CCCCC2CN2CCCCC2)c(OC)n1.
What is the InChIKey of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-1-[2-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is TUGMCUMFKINOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-15-17(19(26-2)22-20(21-15)27-3)13-18(25)24-12-8-5-9-16(24)14-23-10-6-4-7-11-23/h16H,4-14H2,1-3H3.
What are the key properties of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-1-[2-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone?
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-1-[2-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 376.50 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-1-[2-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 46966341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).