N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide

C16H19FN4O2 — CID 122353987

IUPACN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide
SMILESCc1cc(CNC(=O)COc2ccc(F)cc2)nc(N(C)C)n1
InChIInChI=1S/C16H19FN4O2/c1-11-8-13(20-16(19-11)21(2)3)9-18-15(22)10-23-14-6-4-12(17)5-7-14/h4-8H,9-10H2,1-3H3,(H,18,22)
InChIKeyCSIPKDPXXOXMER-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.69
Rot. Bonds6

About N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide

N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide (PubChem CID 122353987) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide
PubChem CID122353987
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC NameN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide
SMILESCc1cc(CNC(=O)COc2ccc(F)cc2)nc(N(C)C)n1
InChIInChI=1S/C16H19FN4O2/c1-11-8-13(20-16(19-11)21(2)3)9-18-15(22)10-23-14-6-4-12(17)5-7-14/h4-8H,9-10H2,1-3H3,(H,18,22)
InChIKeyCSIPKDPXXOXMER-UHFFFAOYSA-N
XLogP1.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 122354280
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 91967591
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-methylphenoxy)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352390
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 122262823
2-(4-fluorophenoxy)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49345468
2-(4-fluorophenoxy)-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]acetamide
CID 110783504
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(2-fluorophenoxy)acetamide
CID 122354279
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide
CID 122352239
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 110786205
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 121137422

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide (CID 122353987) is N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide is Cc1cc(CNC(=O)COc2ccc(F)cc2)nc(N(C)C)n1.
What is the InChIKey of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is CSIPKDPXXOXMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-11-8-13(20-16(19-11)21(2)3)9-18-15(22)10-23-14-6-4-12(17)5-7-14/h4-8H,9-10H2,1-3H3,(H,18,22).
What are the key properties of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide?
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 318.35 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 122353987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).