2-(1-adamantyl)-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide

C19H28N4O — CID 122354327

IUPAC2-(1-adamantyl)-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide
SMILESCN(C)c1nccc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C19H28N4O/c1-23(2)18-20-4-3-16(22-18)12-21-17(24)11-19-8-13-5-14(9-19)7-15(6-13)10-19/h3-4,13-15H,5-12H2,1-2H3,(H,21,24)
InChIKeyCLUAGJZIRXCOLQ-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.77
Rot. Bonds5

About 2-(1-adamantyl)-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide

2-(1-adamantyl)-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide (PubChem CID 122354327) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide
PubChem CID122354327
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name2-(1-adamantyl)-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide
SMILESCN(C)c1nccc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C19H28N4O/c1-23(2)18-20-4-3-16(22-18)12-21-17(24)11-19-8-13-5-14(9-19)7-15(6-13)10-19/h3-4,13-15H,5-12H2,1-2H3,(H,21,24)
InChIKeyCLUAGJZIRXCOLQ-UHFFFAOYSA-N
XLogP2.77
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-adamantyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]acetamide
CID 122354034
2-(1-adamantyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353151
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide
CID 122354210
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 73168053
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 75400804
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]isoquinoline-1-carboxamide
CID 122354329
2-(1-adamantyl)-N-benzylacetamide
CID 3560004
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 122354280
1-(4-chlorophenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea
CID 91967701
2-(1-adamantyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide
CID 35512081
2-(1-adamantyl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 131949848
2-(1-adamantyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]acetamide
CID 121198813

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide (CID 122354327) is 2-(1-adamantyl)-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide is CN(C)c1nccc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of 2-(1-adamantyl)-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide?
The InChIKey is CLUAGJZIRXCOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-23(2)18-20-4-3-16(22-18)12-21-17(24)11-19-8-13-5-14(9-19)7-15(6-13)10-19/h3-4,13-15H,5-12H2,1-2H3,(H,21,24).
What are the key properties of 2-(1-adamantyl)-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide?
2-(1-adamantyl)-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide has a molecular weight of 328.46 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide is sourced from PubChem (CID 122354327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).