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

C18H22N4O2 — CID 122352239

IUPACN-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide
SMILESCc1cc(CNC(=O)COc2ccccc2)nc(N2CCCC2)n1
InChIInChI=1S/C18H22N4O2/c1-14-11-15(21-18(20-14)22-9-5-6-10-22)12-19-17(23)13-24-16-7-3-2-4-8-16/h2-4,7-8,11H,5-6,9-10,12-13H2,1H3,(H,19,23)
InChIKeyOQNSWSZMGQAUEB-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.08
Rot. Bonds6

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

N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide (PubChem CID 122352239) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide
PubChem CID122352239
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide
SMILESCc1cc(CNC(=O)COc2ccccc2)nc(N2CCCC2)n1
InChIInChI=1S/C18H22N4O2/c1-14-11-15(21-18(20-14)22-9-5-6-10-22)12-19-17(23)13-24-16-7-3-2-4-8-16/h2-4,7-8,11H,5-6,9-10,12-13H2,1H3,(H,19,23)
InChIKeyOQNSWSZMGQAUEB-UHFFFAOYSA-N
XLogP2.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide
CID 72718308
2-(4-methylphenoxy)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352390
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-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide
CID 121090371
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenoxyacetamide
CID 122254169
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrimidin-2-yloxyacetamide
CID 72718392
1-(4-ethoxyphenyl)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122352293
3,3,3-trifluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]propanamide
CID 122352907
2-(4-methoxyphenoxy)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353098
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylpropanamide
CID 91967478
2-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 46391547

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide (CID 122352239) is N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide is Cc1cc(CNC(=O)COc2ccccc2)nc(N2CCCC2)n1.
What is the InChIKey of N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide?
The InChIKey is OQNSWSZMGQAUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-14-11-15(21-18(20-14)22-9-5-6-10-22)12-19-17(23)13-24-16-7-3-2-4-8-16/h2-4,7-8,11H,5-6,9-10,12-13H2,1H3,(H,19,23).
What are the key properties of N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide?
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide has a molecular weight of 326.40 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 122352239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).