6-[[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione

C14H24N4O3 — CID 163316894

IUPAC6-[[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESCOC1(CN(C)C)CCN(Cc2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C14H24N4O3/c1-17(2)10-14(21-3)4-6-18(7-5-14)9-11-8-12(19)16-13(20)15-11/h8H,4-7,9-10H2,1-3H3,(H2,15,16,19,20)
InChIKeyPATYHFQLVGYSST-UHFFFAOYSA-N
MW296.37 g/mol
LogP-0.39
Rot. Bonds5

About 6-[[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione

6-[[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 163316894) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-[[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID163316894
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name6-[[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESCOC1(CN(C)C)CCN(Cc2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C14H24N4O3/c1-17(2)10-14(21-3)4-6-18(7-5-14)9-11-8-12(19)16-13(20)15-11/h8H,4-7,9-10H2,1-3H3,(H2,15,16,19,20)
InChIKeyPATYHFQLVGYSST-UHFFFAOYSA-N
XLogP-0.39
TPSA81.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione (CID 163316894) is 6-[[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione is COC1(CN(C)C)CCN(Cc2cc(=O)[nH]c(=O)[nH]2)CC1.
What is the InChIKey of 6-[[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is PATYHFQLVGYSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-17(2)10-14(21-3)4-6-18(7-5-14)9-11-8-12(19)16-13(20)15-11/h8H,4-7,9-10H2,1-3H3,(H2,15,16,19,20).
What are the key properties of 6-[[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione?
6-[[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 296.37 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 163316894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).