N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(2-fluorophenyl)acetamide

C15H17FN4O2 — CID 122319450

IUPACN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(2-fluorophenyl)acetamide
SMILESCOc1ncc(NC(=O)Cc2ccccc2F)c(N(C)C)n1
InChIInChI=1S/C15H17FN4O2/c1-20(2)14-12(9-17-15(19-14)22-3)18-13(21)8-10-6-4-5-7-11(10)16/h4-7,9H,8H2,1-3H3,(H,18,21)
InChIKeyIYRXHLKKOGXSBP-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.87
Rot. Bonds5

About N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(2-fluorophenyl)acetamide

N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(2-fluorophenyl)acetamide (PubChem CID 122319450) has the molecular formula C15H17FN4O2 and a molecular weight of 304.33 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(2-fluorophenyl)acetamide
PubChem CID122319450
Molecular FormulaC15H17FN4O2
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC NameN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(2-fluorophenyl)acetamide
SMILESCOc1ncc(NC(=O)Cc2ccccc2F)c(N(C)C)n1
InChIInChI=1S/C15H17FN4O2/c1-20(2)14-12(9-17-15(19-14)22-3)18-13(21)8-10-6-4-5-7-11(10)16/h4-7,9H,8H2,1-3H3,(H,18,21)
InChIKeyIYRXHLKKOGXSBP-UHFFFAOYSA-N
XLogP1.87
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-phenylmethoxyacetamide
CID 122319473
2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide
CID 122319306
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(3-methoxyphenoxy)acetamide
CID 122319402
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2,4-difluorobenzamide
CID 122319312
N-(2,4-dimethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide
CID 122304049
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-(2-fluorophenyl)acetamide
CID 122356290
4-cyano-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide
CID 122319436
N-(2,4-dimethoxypyrimidin-5-yl)-2,6-difluorobenzamide
CID 71807571
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)acetamide
CID 1228251
N-(2,4-dimethoxy-3-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 110777877
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-oxocyclohexane-1-carboxamide
CID 122319488
2-(2-fluorophenyl)-N-naphthalen-1-ylacetamide
CID 836511

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(2-fluorophenyl)acetamide (CID 122319450) is N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(2-fluorophenyl)acetamide is COc1ncc(NC(=O)Cc2ccccc2F)c(N(C)C)n1.
What is the InChIKey of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(2-fluorophenyl)acetamide?
The InChIKey is IYRXHLKKOGXSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-20(2)14-12(9-17-15(19-14)22-3)18-13(21)8-10-6-4-5-7-11(10)16/h4-7,9H,8H2,1-3H3,(H,18,21).
What are the key properties of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(2-fluorophenyl)acetamide?
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(2-fluorophenyl)acetamide has a molecular weight of 304.33 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 122319450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).