6-[2-(1-adamantyl)-2-oxoethyl]-1H-pyrimidine-2,4-dione

C16H20N2O3 — CID 46894801

IUPAC6-[2-(1-adamantyl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H20N2O3/c19-13(4-12-5-14(20)18-15(21)17-12)16-6-9-1-10(7-16)3-11(2-9)8-16/h5,9-11H,1-4,6-8H2,(H2,17,18,20,21)
InChIKeyVZVBHUWTYTWMJX-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.39
Rot. Bonds3

About 6-[2-(1-adamantyl)-2-oxoethyl]-1H-pyrimidine-2,4-dione

6-[2-(1-adamantyl)-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 46894801) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-[2-(1-adamantyl)-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(1-adamantyl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID46894801
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name6-[2-(1-adamantyl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H20N2O3/c19-13(4-12-5-14(20)18-15(21)17-12)16-6-9-1-10(7-16)3-11(2-9)8-16/h5,9-11H,1-4,6-8H2,(H2,17,18,20,21)
InChIKeyVZVBHUWTYTWMJX-UHFFFAOYSA-N
XLogP1.39
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

i-Propylmethyl-5-adamantyluracil
CID 129870574
6-(1-adamantyl)-1H-pyrimidine-2,4-dione
CID 65710253

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-adamantyl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(1-adamantyl)-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 46894801) is 6-[2-(1-adamantyl)-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(1-adamantyl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(1-adamantyl)-2-oxoethyl]-1H-pyrimidine-2,4-dione is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 6-[2-(1-adamantyl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is VZVBHUWTYTWMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-13(4-12-5-14(20)18-15(21)17-12)16-6-9-1-10(7-16)3-11(2-9)8-16/h5,9-11H,1-4,6-8H2,(H2,17,18,20,21).
What are the key properties of 6-[2-(1-adamantyl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
6-[2-(1-adamantyl)-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 288.35 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-adamantyl)-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 46894801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).