2-(1-adamantyl)-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrimidin-6-one

C21H30N4O2 — CID 72876418

IUPAC2-(1-adamantyl)-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCNC1CCN(C(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[nH]c2=O)CC1
InChIInChI=1S/C21H30N4O2/c1-22-16-2-4-25(5-3-16)19(27)17-12-23-20(24-18(17)26)21-9-13-6-14(10-21)8-15(7-13)11-21/h12-16,22H,2-11H2,1H3,(H,23,24,26)
InChIKeyWFMUWCWXXCDKEI-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.06
Rot. Bonds3

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

2-(1-adamantyl)-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 72876418) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-(1-adamantyl)-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-adamantyl)-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID72876418
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name2-(1-adamantyl)-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCNC1CCN(C(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[nH]c2=O)CC1
InChIInChI=1S/C21H30N4O2/c1-22-16-2-4-25(5-3-16)19(27)17-12-23-20(24-18(17)26)21-9-13-6-14(10-21)8-15(7-13)11-21/h12-16,22H,2-11H2,1H3,(H,23,24,26)
InChIKeyWFMUWCWXXCDKEI-UHFFFAOYSA-N
XLogP2.06
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-adamantyl)-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrimidin-6-one (CID 72876418) is 2-(1-adamantyl)-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-adamantyl)-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-adamantyl)-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrimidin-6-one is CNC1CCN(C(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[nH]c2=O)CC1.
What is the InChIKey of 2-(1-adamantyl)-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is WFMUWCWXXCDKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-22-16-2-4-25(5-3-16)19(27)17-12-23-20(24-18(17)26)21-9-13-6-14(10-21)8-15(7-13)11-21/h12-16,22H,2-11H2,1H3,(H,23,24,26).
What are the key properties of 2-(1-adamantyl)-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
2-(1-adamantyl)-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 370.50 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 72876418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).