2-(cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium

C25H36N4O2Re2-2 — CID 159472338

IUPAC2-(cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium
SMILESCC(C)c1cnc(CC2CC2)[n-]c1=O.CC(C)c1cnc(CC2CCCCC2)[n-]c1=O.[Re].[Re]
InChIInChI=1S/C14H22N2O.C11H16N2O.2Re/c1-10(2)12-9-15-13(16-14(12)17)8-11-6-4-3-5-7-11;1-7(2)9-6-12-10(13-11(9)14)5-8-3-4-8;;/h9-11H,3-8H2,1-2H3,(H,15,16,17);6-8H,3-5H2,1-2H3,(H,12,13,14);;/p-2
InChIKeyAMOOGQQFPXIGKA-UHFFFAOYSA-L
MW797.00 g/mol
LogP4.12
Rot. Bonds6

About 2-(cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium

2-(cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium (PubChem CID 159472338) has the molecular formula C25H36N4O2Re2-2 and a molecular weight of 797.00 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium
PubChem CID159472338
Molecular FormulaC25H36N4O2Re2-2
Molecular Weight797.00 g/mol
Exact Mass798.20
IUPAC Name2-(cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium
SMILESCC(C)c1cnc(CC2CC2)[n-]c1=O.CC(C)c1cnc(CC2CCCCC2)[n-]c1=O.[Re].[Re]
InChIInChI=1S/C14H22N2O.C11H16N2O.2Re/c1-10(2)12-9-15-13(16-14(12)17)8-11-6-4-3-5-7-11;1-7(2)9-6-12-10(13-11(9)14)5-8-3-4-8;;/h9-11H,3-8H2,1-2H3,(H,15,16,17);6-8H,3-5H2,1-2H3,(H,12,13,14);;/p-2
InChIKeyAMOOGQQFPXIGKA-UHFFFAOYSA-L
XLogP4.12
TPSA88.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500797.00
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 58286796
2-(2-Cyclohexylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 58286828
2-(Cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium
CID 59304401
2-(Cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one;2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 158058558
2-[[4-[2-(2-Cyclobutyl-4-oxopyrimidin-3-id-5-yl)propyl]cyclohexyl]methyl]-5-methylpyrimidin-3-id-4-one;rhenium
CID 163544391
2-(cyclohexylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 59304402

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium?
The IUPAC name of 2-(cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium (CID 159472338) is 2-(cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium.
What is the SMILES notation for 2-(cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium?
The canonical SMILES for 2-(cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium is CC(C)c1cnc(CC2CC2)[n-]c1=O.CC(C)c1cnc(CC2CCCCC2)[n-]c1=O.[Re].[Re].
What is the InChIKey of 2-(cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium?
The InChIKey is AMOOGQQFPXIGKA-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H22N2O.C11H16N2O.2Re/c1-10(2)12-9-15-13(16-14(12)17)8-11-6-4-3-5-7-11;1-7(2)9-6-12-10(13-11(9)14)5-8-3-4-8;;/h9-11H,3-8H2,1-2H3,(H,15,16,17);6-8H,3-5H2,1-2H3,(H,12,13,14);;/p-2.
What are the key properties of 2-(cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium?
2-(cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium has a molecular weight of 797.00 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium is sourced from PubChem (CID 159472338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).