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

C19H26N4O2 — CID 56910801

IUPAC5-[4-(1-adamantyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cnc[nH]c1=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H26N4O2/c24-17-16(11-20-12-21-17)18(25)22-1-3-23(4-2-22)19-8-13-5-14(9-19)7-15(6-13)10-19/h11-15H,1-10H2,(H,20,21,24)
InChIKeyJNSBKUSBCXPASF-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.50
Rot. Bonds2

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

5-[4-(1-adamantyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 56910801) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-[4-(1-adamantyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[4-(1-adamantyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID56910801
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name5-[4-(1-adamantyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cnc[nH]c1=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H26N4O2/c24-17-16(11-20-12-21-17)18(25)22-1-3-23(4-2-22)19-8-13-5-14(9-19)7-15(6-13)10-19/h11-15H,1-10H2,(H,20,21,24)
InChIKeyJNSBKUSBCXPASF-UHFFFAOYSA-N
XLogP1.50
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde
CID 110850252
5-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 110091367
5-[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 56751503
[4-(1-adamantyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 6466089
5-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carbonyl]-1H-pyrimidin-6-one
CID 97113994
5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 95563751
[4-(1-adamantyl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 6468657
[4-(1-adamantyl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 56904026
5-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 72867263
[4-(1-adamantyl)piperazin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone
CID 56908974
5-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 124954553
5-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 124954554

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-adamantyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-[4-(1-adamantyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one (CID 56910801) is 5-[4-(1-adamantyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[4-(1-adamantyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-[4-(1-adamantyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one is O=C(c1cnc[nH]c1=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 5-[4-(1-adamantyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is JNSBKUSBCXPASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-17-16(11-20-12-21-17)18(25)22-1-3-23(4-2-22)19-8-13-5-14(9-19)7-15(6-13)10-19/h11-15H,1-10H2,(H,20,21,24).
What are the key properties of 5-[4-(1-adamantyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
5-[4-(1-adamantyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 342.44 g/mol, XLogP of 1.50, 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]-1H-pyrimidin-6-one is sourced from PubChem (CID 56910801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).