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

C18H22N4O2 — CID 122317423

IUPAC2-(4-methylphenoxy)-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide
SMILESCc1ccc(OCC(=O)NCc2nccc(N3CCCC3)n2)cc1
InChIInChI=1S/C18H22N4O2/c1-14-4-6-15(7-5-14)24-13-18(23)20-12-16-19-9-8-17(21-16)22-10-2-3-11-22/h4-9H,2-3,10-13H2,1H3,(H,20,23)
InChIKeyXOSRABDBEBEXHA-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.08
Rot. Bonds6

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

2-(4-methylphenoxy)-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide (PubChem CID 122317423) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide
PubChem CID122317423
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-(4-methylphenoxy)-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide
SMILESCc1ccc(OCC(=O)NCc2nccc(N3CCCC3)n2)cc1
InChIInChI=1S/C18H22N4O2/c1-14-4-6-15(7-5-14)24-13-18(23)20-12-16-19-9-8-17(21-16)22-10-2-3-11-22/h4-9H,2-3,10-13H2,1H3,(H,20,23)
InChIKeyXOSRABDBEBEXHA-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-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 121137119
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 122319042
2,2-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 72717995
2-(4-methylphenoxy)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352390
2-(4-methylphenoxy)-N-(6-pyrrolidin-1-ylpyridazin-3-yl)acetamide
CID 113038736
2-cyclopentyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 122318482
2-(4-chlorophenoxy)-2-methyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 91966529
1-(2,4-dimethylphenyl)-3-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 91966673
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 72717998
2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]furan-3-carboxamide
CID 122317438
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 122318529
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide
CID 72717997

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide (CID 122317423) is 2-(4-methylphenoxy)-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide is Cc1ccc(OCC(=O)NCc2nccc(N3CCCC3)n2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide?
The InChIKey is XOSRABDBEBEXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-14-4-6-15(7-5-14)24-13-18(23)20-12-16-19-9-8-17(21-16)22-10-2-3-11-22/h4-9H,2-3,10-13H2,1H3,(H,20,23).
What are the key properties of 2-(4-methylphenoxy)-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide?
2-(4-methylphenoxy)-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide 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 2-(4-methylphenoxy)-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 122317423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).