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

C14H21N2ORe- — CID 59304401

IUPAC2-(cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium
SMILESCC(C)c1cnc(CC2CCCCC2)[n-]c1=O.[Re]
InChIInChI=1S/C14H22N2O.Re/c1-10(2)12-9-15-13(16-14(12)17)8-11-6-4-3-5-7-11;/h9-11H,3-8H2,1-2H3,(H,15,16,17);/p-1
InChIKeyDOUYNXLIDHTCTJ-UHFFFAOYSA-M
MW419.54 g/mol
LogP2.64
Rot. Bonds3

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

2-(cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium (PubChem CID 59304401) has the molecular formula C14H21N2ORe- and a molecular weight of 419.54 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium
PubChem CID59304401
Molecular FormulaC14H21N2ORe-
Molecular Weight419.54 g/mol
Exact Mass420.12
IUPAC Name2-(cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium
SMILESCC(C)c1cnc(CC2CCCCC2)[n-]c1=O.[Re]
InChIInChI=1S/C14H22N2O.Re/c1-10(2)12-9-15-13(16-14(12)17)8-11-6-4-3-5-7-11;/h9-11H,3-8H2,1-2H3,(H,15,16,17);/p-1
InChIKeyDOUYNXLIDHTCTJ-UHFFFAOYSA-M
XLogP2.64
TPSA44.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.54
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Cyclopropylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 58170184
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-(Cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium
CID 59304192
2-cyclohexyl-5-methyl-1H-pyrimidin-6-one
CID 59473971
5-cyclohexyl-2-methyl-1H-pyrimidin-6-one
CID 117260853
2-(Cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one;2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 158058558
2-(Cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium
CID 159472338
2-[[4-[2-(2-Cyclobutyl-4-oxopyrimidin-3-id-5-yl)propyl]cyclohexyl]methyl]-5-methylpyrimidin-3-id-4-one;rhenium
CID 163544391
5-ethyl-2-hexan-3-yl-1H-pyrimidin-6-one
CID 177910407
2-Cyclohexyl-5-ethylpyrimidin-4(3H)-one
CID 12342969
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;rhenium?
The IUPAC name of 2-(cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium (CID 59304401) is 2-(cyclohexylmethyl)-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;rhenium?
The canonical SMILES for 2-(cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium is CC(C)c1cnc(CC2CCCCC2)[n-]c1=O.[Re].
What is the InChIKey of 2-(cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium?
The InChIKey is DOUYNXLIDHTCTJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H22N2O.Re/c1-10(2)12-9-15-13(16-14(12)17)8-11-6-4-3-5-7-11;/h9-11H,3-8H2,1-2H3,(H,15,16,17);/p-1.
What are the key properties of 2-(cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium?
2-(cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium has a molecular weight of 419.54 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium is sourced from PubChem (CID 59304401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).