N-[(4,4-dimethyloxolan-2-yl)methyl]-2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetamide

C17H27N3O2 — CID 138055237

IUPACN-[(4,4-dimethyloxolan-2-yl)methyl]-2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetamide
SMILESCCc1nc(C)c(CC(=O)NCC2CC(C)(C)CO2)c(C)n1
InChIInChI=1S/C17H27N3O2/c1-6-15-19-11(2)14(12(3)20-15)7-16(21)18-9-13-8-17(4,5)10-22-13/h13H,6-10H2,1-5H3,(H,18,21)
InChIKeyOFAWDECTCDTRHT-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.13
Rot. Bonds5

About N-[(4,4-dimethyloxolan-2-yl)methyl]-2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetamide

N-[(4,4-dimethyloxolan-2-yl)methyl]-2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetamide (PubChem CID 138055237) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(4,4-dimethyloxolan-2-yl)methyl]-2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(4,4-dimethyloxolan-2-yl)methyl]-2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetamide
PubChem CID138055237
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[(4,4-dimethyloxolan-2-yl)methyl]-2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetamide
SMILESCCc1nc(C)c(CC(=O)NCC2CC(C)(C)CO2)c(C)n1
InChIInChI=1S/C17H27N3O2/c1-6-15-19-11(2)14(12(3)20-15)7-16(21)18-9-13-8-17(4,5)10-22-13/h13H,6-10H2,1-5H3,(H,18,21)
InChIKeyOFAWDECTCDTRHT-UHFFFAOYSA-N
XLogP2.13
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,4-dimethyloxolan-2-yl)methyl]-2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetamide?
The IUPAC name of N-[(4,4-dimethyloxolan-2-yl)methyl]-2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetamide (CID 138055237) is N-[(4,4-dimethyloxolan-2-yl)methyl]-2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(4,4-dimethyloxolan-2-yl)methyl]-2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(4,4-dimethyloxolan-2-yl)methyl]-2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetamide is CCc1nc(C)c(CC(=O)NCC2CC(C)(C)CO2)c(C)n1.
What is the InChIKey of N-[(4,4-dimethyloxolan-2-yl)methyl]-2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetamide?
The InChIKey is OFAWDECTCDTRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-6-15-19-11(2)14(12(3)20-15)7-16(21)18-9-13-8-17(4,5)10-22-13/h13H,6-10H2,1-5H3,(H,18,21).
What are the key properties of N-[(4,4-dimethyloxolan-2-yl)methyl]-2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetamide?
N-[(4,4-dimethyloxolan-2-yl)methyl]-2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetamide has a molecular weight of 305.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-dimethyloxolan-2-yl)methyl]-2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 138055237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).