2-cyclohexyl-1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone

C18H27N3O — CID 110259285

IUPAC2-cyclohexyl-1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
SMILESCc1cc(C)nc(C2CCN(C(=O)CC3CCCCC3)C2)n1
InChIInChI=1S/C18H27N3O/c1-13-10-14(2)20-18(19-13)16-8-9-21(12-16)17(22)11-15-6-4-3-5-7-15/h10,15-16H,3-9,11-12H2,1-2H3
InChIKeyVSDLINIFBFZOMK-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.38
Rot. Bonds3

About 2-cyclohexyl-1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone

2-cyclohexyl-1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 110259285) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-cyclohexyl-1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID110259285
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-cyclohexyl-1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
SMILESCc1cc(C)nc(C2CCN(C(=O)CC3CCCCC3)C2)n1
InChIInChI=1S/C18H27N3O/c1-13-10-14(2)20-18(19-13)16-8-9-21(12-16)17(22)11-15-6-4-3-5-7-15/h10,15-16H,3-9,11-12H2,1-2H3
InChIKeyVSDLINIFBFZOMK-UHFFFAOYSA-N
XLogP3.38
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone (CID 110259285) is 2-cyclohexyl-1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone is Cc1cc(C)nc(C2CCN(C(=O)CC3CCCCC3)C2)n1.
What is the InChIKey of 2-cyclohexyl-1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is VSDLINIFBFZOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-13-10-14(2)20-18(19-13)16-8-9-21(12-16)17(22)11-15-6-4-3-5-7-15/h10,15-16H,3-9,11-12H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
2-cyclohexyl-1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 301.43 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110259285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).