2-(1-adamantyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide

C22H32N4O — CID 122352440

IUPAC2-(1-adamantyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)nc(N2CCCC2)n1
InChIInChI=1S/C22H32N4O/c1-15-6-19(25-21(24-15)26-4-2-3-5-26)14-23-20(27)13-22-10-16-7-17(11-22)9-18(8-16)12-22/h6,16-18H,2-5,7-14H2,1H3,(H,23,27)
InChIKeyWEWDRHMOJAQGAE-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.61
Rot. Bonds5

About 2-(1-adamantyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide

2-(1-adamantyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide (PubChem CID 122352440) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
PubChem CID122352440
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name2-(1-adamantyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)nc(N2CCCC2)n1
InChIInChI=1S/C22H32N4O/c1-15-6-19(25-21(24-15)26-4-2-3-5-26)14-23-20(27)13-22-10-16-7-17(11-22)9-18(8-16)12-22/h6,16-18H,2-5,7-14H2,1H3,(H,23,27)
InChIKeyWEWDRHMOJAQGAE-UHFFFAOYSA-N
XLogP3.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.61
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
3,3,3-trifluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]propanamide
CID 122352907
3-cyclohexyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propanamide
CID 122352211
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide
CID 122352828
2-(2-chlorophenyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352355
2-(4-methoxyphenyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 72718286
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide
CID 122352239
2-(4-methylphenoxy)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352390
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide
CID 72718308
1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122352279
2-(1,3-benzodioxol-5-yl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352849

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide (CID 122352440) is 2-(1-adamantyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide is Cc1cc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)nc(N2CCCC2)n1.
What is the InChIKey of 2-(1-adamantyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide?
The InChIKey is WEWDRHMOJAQGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-15-6-19(25-21(24-15)26-4-2-3-5-26)14-23-20(27)13-22-10-16-7-17(11-22)9-18(8-16)12-22/h6,16-18H,2-5,7-14H2,1H3,(H,23,27).
What are the key properties of 2-(1-adamantyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide?
2-(1-adamantyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide has a molecular weight of 368.53 g/mol, XLogP of 3.61, 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-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide is sourced from PubChem (CID 122352440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).