2-[[4-[2-(2-cyclobutyl-4-oxopyrimidin-3-id-5-yl)propyl]cyclohexyl]methyl]-5-methylpyrimidin-3-id-4-one;rhenium

C23H30N4O2Re2-2 — CID 163544391

IUPAC2-[[4-[2-(2-cyclobutyl-4-oxopyrimidin-3-id-5-yl)propyl]cyclohexyl]methyl]-5-methylpyrimidin-3-id-4-one;rhenium
SMILESCc1cnc(CC2CCC(CC(C)c3cnc(C4CCC4)[n-]c3=O)CC2)[n-]c1=O.[Re].[Re]
InChIInChI=1S/C23H32N4O2.2Re/c1-14(19-13-25-21(27-23(19)29)18-4-3-5-18)10-16-6-8-17(9-7-16)11-20-24-12-15(2)22(28)26-20;;/h12-14,16-18H,3-11H2,1-2H3,(H2,24,25,26,27,28,29);;/p-2
InChIKeySHTXEKJFCSSLMI-UHFFFAOYSA-L
MW766.93 g/mol
LogP3.23
Rot. Bonds6

About 2-[[4-[2-(2-cyclobutyl-4-oxopyrimidin-3-id-5-yl)propyl]cyclohexyl]methyl]-5-methylpyrimidin-3-id-4-one;rhenium

2-[[4-[2-(2-cyclobutyl-4-oxopyrimidin-3-id-5-yl)propyl]cyclohexyl]methyl]-5-methylpyrimidin-3-id-4-one;rhenium (PubChem CID 163544391) has the molecular formula C23H30N4O2Re2-2 and a molecular weight of 766.93 g/mol. Its IUPAC name is 2-[[4-[2-(2-cyclobutyl-4-oxopyrimidin-3-id-5-yl)propyl]cyclohexyl]methyl]-5-methylpyrimidin-3-id-4-one;rhenium.

Molecular Properties

Compound Name2-[[4-[2-(2-cyclobutyl-4-oxopyrimidin-3-id-5-yl)propyl]cyclohexyl]methyl]-5-methylpyrimidin-3-id-4-one;rhenium
PubChem CID163544391
Molecular FormulaC23H30N4O2Re2-2
Molecular Weight766.93 g/mol
Exact Mass768.15
IUPAC Name2-[[4-[2-(2-cyclobutyl-4-oxopyrimidin-3-id-5-yl)propyl]cyclohexyl]methyl]-5-methylpyrimidin-3-id-4-one;rhenium
SMILESCc1cnc(CC2CCC(CC(C)c3cnc(C4CCC4)[n-]c3=O)CC2)[n-]c1=O.[Re].[Re]
InChIInChI=1S/C23H32N4O2.2Re/c1-14(19-13-25-21(27-23(19)29)18-4-3-5-18)10-16-6-8-17(9-7-16)11-20-24-12-15(2)22(28)26-20;;/h12-14,16-18H,3-11H2,1-2H3,(H2,24,25,26,27,28,29);;/p-2
InChIKeySHTXEKJFCSSLMI-UHFFFAOYSA-L
XLogP3.23
TPSA88.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500766.93
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[2-(2-cyclobutyl-4-oxopyrimidin-3-id-5-yl)propyl]cyclohexyl]methyl]-5-methylpyrimidin-3-id-4-one;rhenium with MolForge

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Related Compounds

2-(Cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium
CID 59304401
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-6-oxo-1H-pyrimidin-5-yl)propyl]cyclohexyl]methyl]-5-methyl-1H-pyrimidin-6-one
CID 163544392

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(2-cyclobutyl-4-oxopyrimidin-3-id-5-yl)propyl]cyclohexyl]methyl]-5-methylpyrimidin-3-id-4-one;rhenium?
The IUPAC name of 2-[[4-[2-(2-cyclobutyl-4-oxopyrimidin-3-id-5-yl)propyl]cyclohexyl]methyl]-5-methylpyrimidin-3-id-4-one;rhenium (CID 163544391) is 2-[[4-[2-(2-cyclobutyl-4-oxopyrimidin-3-id-5-yl)propyl]cyclohexyl]methyl]-5-methylpyrimidin-3-id-4-one;rhenium.
What is the SMILES notation for 2-[[4-[2-(2-cyclobutyl-4-oxopyrimidin-3-id-5-yl)propyl]cyclohexyl]methyl]-5-methylpyrimidin-3-id-4-one;rhenium?
The canonical SMILES for 2-[[4-[2-(2-cyclobutyl-4-oxopyrimidin-3-id-5-yl)propyl]cyclohexyl]methyl]-5-methylpyrimidin-3-id-4-one;rhenium is Cc1cnc(CC2CCC(CC(C)c3cnc(C4CCC4)[n-]c3=O)CC2)[n-]c1=O.[Re].[Re].
What is the InChIKey of 2-[[4-[2-(2-cyclobutyl-4-oxopyrimidin-3-id-5-yl)propyl]cyclohexyl]methyl]-5-methylpyrimidin-3-id-4-one;rhenium?
The InChIKey is SHTXEKJFCSSLMI-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H32N4O2.2Re/c1-14(19-13-25-21(27-23(19)29)18-4-3-5-18)10-16-6-8-17(9-7-16)11-20-24-12-15(2)22(28)26-20;;/h12-14,16-18H,3-11H2,1-2H3,(H2,24,25,26,27,28,29);;/p-2.
What are the key properties of 2-[[4-[2-(2-cyclobutyl-4-oxopyrimidin-3-id-5-yl)propyl]cyclohexyl]methyl]-5-methylpyrimidin-3-id-4-one;rhenium?
2-[[4-[2-(2-cyclobutyl-4-oxopyrimidin-3-id-5-yl)propyl]cyclohexyl]methyl]-5-methylpyrimidin-3-id-4-one;rhenium has a molecular weight of 766.93 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(2-cyclobutyl-4-oxopyrimidin-3-id-5-yl)propyl]cyclohexyl]methyl]-5-methylpyrimidin-3-id-4-one;rhenium is sourced from PubChem (CID 163544391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).