3-methyl-5-[2-[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]-1H-pyrimidine-2,4-dione

C18H24N4O3 — CID 135115719

IUPAC3-methyl-5-[2-[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CCN(Cc2ccccn2)CC2CCCO2)c1=O
InChIInChI=1S/C18H24N4O3/c1-21-17(23)14(11-20-18(21)24)7-9-22(13-16-6-4-10-25-16)12-15-5-2-3-8-19-15/h2-3,5,8,11,16H,4,6-7,9-10,12-13H2,1H3,(H,20,24)
InChIKeyYUOFGTMXPXJDKX-UHFFFAOYSA-N
MW344.41 g/mol
LogP0.69
Rot. Bonds7

About 3-methyl-5-[2-[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]-1H-pyrimidine-2,4-dione

3-methyl-5-[2-[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 135115719) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-methyl-5-[2-[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-[2-[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]-1H-pyrimidine-2,4-dione
PubChem CID135115719
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name3-methyl-5-[2-[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CCN(Cc2ccccn2)CC2CCCO2)c1=O
InChIInChI=1S/C18H24N4O3/c1-21-17(23)14(11-20-18(21)24)7-9-22(13-16-6-4-10-25-16)12-15-5-2-3-8-19-15/h2-3,5,8,11,16H,4,6-7,9-10,12-13H2,1H3,(H,20,24)
InChIKeyYUOFGTMXPXJDKX-UHFFFAOYSA-N
XLogP0.69
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
3,5-dimethyl-2-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyridin-4-one
CID 135112625
3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46982503
N-[(2-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 95275137
N-methyl-3-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 46983238
1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
CID 135099921
N-(1,5-dimethylpyrazol-4-yl)-2-[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]acetamide
CID 135104742
N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 92614286
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 46979426
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 92614504
N-[(1-ethylindol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 99929466
N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 45169943

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-[2-[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]-1H-pyrimidine-2,4-dione (CID 135115719) is 3-methyl-5-[2-[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-[2-[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-[2-[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]cc(CCN(Cc2ccccn2)CC2CCCO2)c1=O.
What is the InChIKey of 3-methyl-5-[2-[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is YUOFGTMXPXJDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-21-17(23)14(11-20-18(21)24)7-9-22(13-16-6-4-10-25-16)12-15-5-2-3-8-19-15/h2-3,5,8,11,16H,4,6-7,9-10,12-13H2,1H3,(H,20,24).
What are the key properties of 3-methyl-5-[2-[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]-1H-pyrimidine-2,4-dione?
3-methyl-5-[2-[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 344.41 g/mol, XLogP of 0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 135115719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).