5-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C20H28N4O3 — CID 56900051

IUPAC5-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C20H28N4O3/c25-17(8-16-12-21-19(27)22-18(16)26)23-1-3-24(4-2-23)20-9-13-5-14(10-20)7-15(6-13)11-20/h12-15H,1-11H2,(H2,21,22,26,27)
InChIKeyRHFHWDOVKOIARI-UHFFFAOYSA-N
MW372.47 g/mol
LogP0.72
Rot. Bonds3

About 5-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

5-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 56900051) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 5-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID56900051
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name5-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C20H28N4O3/c25-17(8-16-12-21-19(27)22-18(16)26)23-1-3-24(4-2-23)20-9-13-5-14(10-20)7-15(6-13)11-20/h12-15H,1-11H2,(H2,21,22,26,27)
InChIKeyRHFHWDOVKOIARI-UHFFFAOYSA-N
XLogP0.72
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 56900051) is 5-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is O=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 5-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is RHFHWDOVKOIARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c25-17(8-16-12-21-19(27)22-18(16)26)23-1-3-24(4-2-23)20-9-13-5-14(10-20)7-15(6-13)11-20/h12-15H,1-11H2,(H2,21,22,26,27).
What are the key properties of 5-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
5-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 372.47 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56900051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).