2-(6-oxo-1H-pyrimidin-5-yl)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide

C16H25N3O2 — CID 118766759

IUPAC2-(6-oxo-1H-pyrimidin-5-yl)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide
SMILESCC1(C)CC(NC(=O)Cc2cnc[nH]c2=O)CC(C)(C)C1
InChIInChI=1S/C16H25N3O2/c1-15(2)6-12(7-16(3,4)9-15)19-13(20)5-11-8-17-10-18-14(11)21/h8,10,12H,5-7,9H2,1-4H3,(H,19,20)(H,17,18,21)
InChIKeySTCXLTGSNZQPQE-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.03
Rot. Bonds3

About 2-(6-oxo-1H-pyrimidin-5-yl)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide

2-(6-oxo-1H-pyrimidin-5-yl)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide (PubChem CID 118766759) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(6-oxo-1H-pyrimidin-5-yl)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(6-oxo-1H-pyrimidin-5-yl)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide
PubChem CID118766759
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-(6-oxo-1H-pyrimidin-5-yl)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide
SMILESCC1(C)CC(NC(=O)Cc2cnc[nH]c2=O)CC(C)(C)C1
InChIInChI=1S/C16H25N3O2/c1-15(2)6-12(7-16(3,4)9-15)19-13(20)5-11-8-17-10-18-14(11)21/h8,10,12H,5-7,9H2,1-4H3,(H,19,20)(H,17,18,21)
InChIKeySTCXLTGSNZQPQE-UHFFFAOYSA-N
XLogP2.03
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-1H-pyrimidin-5-yl)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide?
The IUPAC name of 2-(6-oxo-1H-pyrimidin-5-yl)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide (CID 118766759) is 2-(6-oxo-1H-pyrimidin-5-yl)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide.
What is the SMILES notation for 2-(6-oxo-1H-pyrimidin-5-yl)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide?
The canonical SMILES for 2-(6-oxo-1H-pyrimidin-5-yl)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide is CC1(C)CC(NC(=O)Cc2cnc[nH]c2=O)CC(C)(C)C1.
What is the InChIKey of 2-(6-oxo-1H-pyrimidin-5-yl)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide?
The InChIKey is STCXLTGSNZQPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-15(2)6-12(7-16(3,4)9-15)19-13(20)5-11-8-17-10-18-14(11)21/h8,10,12H,5-7,9H2,1-4H3,(H,19,20)(H,17,18,21).
What are the key properties of 2-(6-oxo-1H-pyrimidin-5-yl)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide?
2-(6-oxo-1H-pyrimidin-5-yl)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-1H-pyrimidin-5-yl)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide is sourced from PubChem (CID 118766759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).