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

C15H17FN4O2 — CID 122354280

IUPACN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide
SMILESCN(C)c1nccc(CNC(=O)COc2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN4O2/c1-20(2)15-17-8-7-12(19-15)9-18-14(21)10-22-13-5-3-11(16)4-6-13/h3-8H,9-10H2,1-2H3,(H,18,21)
InChIKeyBNIYQUHXPYDMFM-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.38
Rot. Bonds6

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

N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide (PubChem CID 122354280) has the molecular formula C15H17FN4O2 and a molecular weight of 304.33 g/mol. Its IUPAC name is N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide
PubChem CID122354280
Molecular FormulaC15H17FN4O2
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC NameN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide
SMILESCN(C)c1nccc(CNC(=O)COc2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN4O2/c1-20(2)15-17-8-7-12(19-15)9-18-14(21)10-22-13-5-3-11(16)4-6-13/h3-8H,9-10H2,1-2H3,(H,18,21)
InChIKeyBNIYQUHXPYDMFM-UHFFFAOYSA-N
XLogP1.38
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 122353987
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 73168053
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(2-fluorophenoxy)acetamide
CID 122354279
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 122322502
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide
CID 9012519
2-(4-fluorophenoxy)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49345468
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 121137422
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-hydroxy-N-methylacetamide
CID 166263356
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 122262823
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 9289828
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]isoquinoline-1-carboxamide
CID 122354329
2-(4-fluorophenoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 110660416

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide (CID 122354280) is N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide is CN(C)c1nccc(CNC(=O)COc2ccc(F)cc2)n1.
What is the InChIKey of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is BNIYQUHXPYDMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-20(2)15-17-8-7-12(19-15)9-18-14(21)10-22-13-5-3-11(16)4-6-13/h3-8H,9-10H2,1-2H3,(H,18,21).
What are the key properties of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide?
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 304.33 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 122354280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).