2-(1-adamantyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]acetamide

C20H30N4O — CID 122354034

IUPAC2-(1-adamantyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]acetamide
SMILESCc1cc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)nc(N(C)C)n1
InChIInChI=1S/C20H30N4O/c1-13-4-17(23-19(22-13)24(2)3)12-21-18(25)11-20-8-14-5-15(9-20)7-16(6-14)10-20/h4,14-16H,5-12H2,1-3H3,(H,21,25)
InChIKeyLNKKNHXPNFGUHS-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.07
Rot. Bonds5

About 2-(1-adamantyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]acetamide

2-(1-adamantyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]acetamide (PubChem CID 122354034) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]acetamide
PubChem CID122354034
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name2-(1-adamantyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]acetamide
SMILESCc1cc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)nc(N(C)C)n1
InChIInChI=1S/C20H30N4O/c1-13-4-17(23-19(22-13)24(2)3)12-21-18(25)11-20-8-14-5-15(9-20)7-16(6-14)10-20/h4,14-16H,5-12H2,1-3H3,(H,21,25)
InChIKeyLNKKNHXPNFGUHS-UHFFFAOYSA-N
XLogP3.07
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-adamantyl)-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide
CID 122354327
2-(1-adamantyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352440
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 91967591
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 122353987
2-(1-adamantyl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 131949848
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 91967581
2-(1-adamantyl)-N-benzylacetamide
CID 3560004
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(3-ethylsulfonylphenyl)acetamide
CID 119046367
1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122354189
2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 122354191
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]pyridine-2-carboxamide
CID 122353929
(2R)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 124845559

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]acetamide (CID 122354034) is 2-(1-adamantyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]acetamide is Cc1cc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)nc(N(C)C)n1.
What is the InChIKey of 2-(1-adamantyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]acetamide?
The InChIKey is LNKKNHXPNFGUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-13-4-17(23-19(22-13)24(2)3)12-21-18(25)11-20-8-14-5-15(9-20)7-16(6-14)10-20/h4,14-16H,5-12H2,1-3H3,(H,21,25).
What are the key properties of 2-(1-adamantyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]acetamide?
2-(1-adamantyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]acetamide has a molecular weight of 342.49 g/mol, XLogP of 3.07, 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)-6-methylpyrimidin-4-yl]methyl]acetamide is sourced from PubChem (CID 122354034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).