3-cyclohexyl-6-(4-cyclohexylpiperazin-1-yl)-1H-pyrimidine-2,4-dione

C20H32N4O2 — CID 44825215

IUPAC3-cyclohexyl-6-(4-cyclohexylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCN(C3CCCCC3)CC2)[nH]c(=O)n1C1CCCCC1
InChIInChI=1S/C20H32N4O2/c25-19-15-18(21-20(26)24(19)17-9-5-2-6-10-17)23-13-11-22(12-14-23)16-7-3-1-4-8-16/h15-17H,1-14H2,(H,21,26)
InChIKeySJEHWOXMKZPCJA-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.50
Rot. Bonds3

About 3-cyclohexyl-6-(4-cyclohexylpiperazin-1-yl)-1H-pyrimidine-2,4-dione

3-cyclohexyl-6-(4-cyclohexylpiperazin-1-yl)-1H-pyrimidine-2,4-dione (PubChem CID 44825215) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 3-cyclohexyl-6-(4-cyclohexylpiperazin-1-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-6-(4-cyclohexylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
PubChem CID44825215
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name3-cyclohexyl-6-(4-cyclohexylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCN(C3CCCCC3)CC2)[nH]c(=O)n1C1CCCCC1
InChIInChI=1S/C20H32N4O2/c25-19-15-18(21-20(26)24(19)17-9-5-2-6-10-17)23-13-11-22(12-14-23)16-7-3-1-4-8-16/h15-17H,1-14H2,(H,21,26)
InChIKeySJEHWOXMKZPCJA-UHFFFAOYSA-N
XLogP2.50
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclohexyl-6-[4-(3-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
CID 45382276
ethyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate
CID 3243367
3-cyclobutyl-6-methyl-1H-pyrimidine-2,4-dione
CID 69179314
3-cyclopentyl-6-propyl-1H-pyrimidine-2,4-dione
CID 154109395
3-(1-cyclohexylpiperidin-4-yl)-5-methyl-1H-benzimidazol-2-one
CID 145484811
1-cycloheptyl-4-phenylpiperazine
CID 2846720
6-chloro-3-cyclopropyl-1H-pyrimidine-2,4-dione
CID 71480123
1-cyclohexyl-4-(4-methylphenyl)piperazine
CID 20655127
3-(chloromethyl)-6-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-1H-pyridin-2-one;hydrochloride
CID 21404577
3-(4-cyclohexylpiperazin-1-yl)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
CID 20921695
3-(1-cyclohexylpiperidin-4-yl)-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one
CID 145484781
4-(1-cyclooctylpiperidin-4-yl)-1H-quinoxaline-2,3-dione
CID 25134073

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-(4-cyclohexylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-cyclohexyl-6-(4-cyclohexylpiperazin-1-yl)-1H-pyrimidine-2,4-dione (CID 44825215) is 3-cyclohexyl-6-(4-cyclohexylpiperazin-1-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-6-(4-cyclohexylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-6-(4-cyclohexylpiperazin-1-yl)-1H-pyrimidine-2,4-dione is O=c1cc(N2CCN(C3CCCCC3)CC2)[nH]c(=O)n1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-6-(4-cyclohexylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is SJEHWOXMKZPCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c25-19-15-18(21-20(26)24(19)17-9-5-2-6-10-17)23-13-11-22(12-14-23)16-7-3-1-4-8-16/h15-17H,1-14H2,(H,21,26).
What are the key properties of 3-cyclohexyl-6-(4-cyclohexylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
3-cyclohexyl-6-(4-cyclohexylpiperazin-1-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 360.50 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-(4-cyclohexylpiperazin-1-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 44825215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).