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

C11H15N2ORe- — CID 59304192

IUPAC2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium
SMILESCC(C)c1cnc(CC2CC2)[n-]c1=O.[Re]
InChIInChI=1S/C11H16N2O.Re/c1-7(2)9-6-12-10(13-11(9)14)5-8-3-4-8;/h6-8H,3-5H2,1-2H3,(H,12,13,14);/p-1
InChIKeyHCCJNDQXINXRKH-UHFFFAOYSA-M
MW377.46 g/mol
LogP1.47
Rot. Bonds3

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

2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium (PubChem CID 59304192) has the molecular formula C11H15N2ORe- and a molecular weight of 377.46 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium
PubChem CID59304192
Molecular FormulaC11H15N2ORe-
Molecular Weight377.46 g/mol
Exact Mass378.07
IUPAC Name2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium
SMILESCC(C)c1cnc(CC2CC2)[n-]c1=O.[Re]
InChIInChI=1S/C11H16N2O.Re/c1-7(2)9-6-12-10(13-11(9)14)5-8-3-4-8;/h6-8H,3-5H2,1-2H3,(H,12,13,14);/p-1
InChIKeyHCCJNDQXINXRKH-UHFFFAOYSA-M
XLogP1.47
TPSA44.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-5-propyl-1H-pyrimidin-6-one
CID 23465438
2-cyclopropyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 23465449
2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one
CID 23465452
2-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 24903697
2,5-di(propan-2-yl)-1H-pyrimidin-6-one
CID 24903699
5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 24903855
2-(2-Cyclopropylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 58170184
2-(Cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 58286760
2-(Cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium
CID 59304401
[6-Oxo-2,5-di(propan-2-yl)pyrimidin-1-yl] hypoiodite
CID 129055819
2,3-Dimethyl-5-propan-2-ylpyrimidin-4-one
CID 146614342
2-ethyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 166823705

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium?
The IUPAC name of 2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium (CID 59304192) is 2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium.
What is the SMILES notation for 2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium?
The canonical SMILES for 2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium is CC(C)c1cnc(CC2CC2)[n-]c1=O.[Re].
What is the InChIKey of 2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium?
The InChIKey is HCCJNDQXINXRKH-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H16N2O.Re/c1-7(2)9-6-12-10(13-11(9)14)5-8-3-4-8;/h6-8H,3-5H2,1-2H3,(H,12,13,14);/p-1.
What are the key properties of 2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium?
2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium has a molecular weight of 377.46 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium is sourced from PubChem (CID 59304192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).