5-[4-(1-adamantyl)piperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one

C20H28N4O2 — CID 56902658

IUPAC5-[4-(1-adamantyl)piperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c(=O)[nH]1
InChIInChI=1S/C20H28N4O2/c1-13-21-12-17(18(25)22-13)19(26)23-2-4-24(5-3-23)20-9-14-6-15(10-20)8-16(7-14)11-20/h12,14-16H,2-11H2,1H3,(H,21,22,25)
InChIKeySPBAGARZIKDPJI-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.80
Rot. Bonds2

About 5-[4-(1-adamantyl)piperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one

5-[4-(1-adamantyl)piperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 56902658) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 5-[4-(1-adamantyl)piperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[4-(1-adamantyl)piperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID56902658
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name5-[4-(1-adamantyl)piperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c(=O)[nH]1
InChIInChI=1S/C20H28N4O2/c1-13-21-12-17(18(25)22-13)19(26)23-2-4-24(5-3-23)20-9-14-6-15(10-20)8-16(7-14)11-20/h12,14-16H,2-11H2,1H3,(H,21,22,25)
InChIKeySPBAGARZIKDPJI-UHFFFAOYSA-N
XLogP1.80
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-adamantyl)piperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[4-(1-adamantyl)piperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one (CID 56902658) is 5-[4-(1-adamantyl)piperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[4-(1-adamantyl)piperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[4-(1-adamantyl)piperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one is Cc1ncc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c(=O)[nH]1.
What is the InChIKey of 5-[4-(1-adamantyl)piperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is SPBAGARZIKDPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-13-21-12-17(18(25)22-13)19(26)23-2-4-24(5-3-23)20-9-14-6-15(10-20)8-16(7-14)11-20/h12,14-16H,2-11H2,1H3,(H,21,22,25).
What are the key properties of 5-[4-(1-adamantyl)piperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
5-[4-(1-adamantyl)piperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 356.47 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-adamantyl)piperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 56902658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).