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

C15H17FN4O2 — CID 122322502

IUPACN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)acetamide
SMILESCN(C)c1ccnc(CNC(=O)COc2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN4O2/c1-20(2)14-7-8-17-13(19-14)9-18-15(21)10-22-12-5-3-11(16)4-6-12/h3-8H,9-10H2,1-2H3,(H,18,21)
InChIKeyKEZWNIAMIOFKFF-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.38
Rot. Bonds6

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

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)acetamide (PubChem CID 122322502) has the molecular formula C15H17FN4O2 and a molecular weight of 304.33 g/mol. Its IUPAC name is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)acetamide
PubChem CID122322502
Molecular FormulaC15H17FN4O2
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)acetamide
SMILESCN(C)c1ccnc(CNC(=O)COc2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN4O2/c1-20(2)14-7-8-17-13(19-14)9-18-15(21)10-22-12-5-3-11(16)4-6-12/h3-8H,9-10H2,1-2H3,(H,18,21)
InChIKeyKEZWNIAMIOFKFF-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 122354280
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(4-fluorophenoxy)benzamide
CID 122322627
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 121137422
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide
CID 91967056
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide
CID 9012519
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 122353987
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 9289828
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-hydroxy-N-methylacetamide
CID 166263356
2-(4-methylphenoxy)-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 122317423
4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide
CID 122322625
3-cyclohexyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide
CID 121137204
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide
CID 122322557

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)acetamide (CID 122322502) is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)acetamide is CN(C)c1ccnc(CNC(=O)COc2ccc(F)cc2)n1.
What is the InChIKey of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is KEZWNIAMIOFKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-20(2)14-7-8-17-13(19-14)9-18-15(21)10-22-12-5-3-11(16)4-6-12/h3-8H,9-10H2,1-2H3,(H,18,21).
What are the key properties of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)acetamide?
N-[[4-(dimethylamino)pyrimidin-2-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-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 122322502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).