2-[(5-fluoropyrimidin-2-yl)-methylamino]-N-(3-methoxyphenyl)acetamide

C14H15FN4O2 — CID 86780450

IUPAC2-[(5-fluoropyrimidin-2-yl)-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)c2ncc(F)cn2)c1
InChIInChI=1S/C14H15FN4O2/c1-19(14-16-7-10(15)8-17-14)9-13(20)18-11-4-3-5-12(6-11)21-2/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyIVRXILBFLQCFBB-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.70
Rot. Bonds5

About 2-[(5-fluoropyrimidin-2-yl)-methylamino]-N-(3-methoxyphenyl)acetamide

2-[(5-fluoropyrimidin-2-yl)-methylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 86780450) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 2-[(5-fluoropyrimidin-2-yl)-methylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-fluoropyrimidin-2-yl)-methylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID86780450
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name2-[(5-fluoropyrimidin-2-yl)-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)c2ncc(F)cn2)c1
InChIInChI=1S/C14H15FN4O2/c1-19(14-16-7-10(15)8-17-14)9-13(20)18-11-4-3-5-12(6-11)21-2/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyIVRXILBFLQCFBB-UHFFFAOYSA-N
XLogP1.70
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 8689446
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8909173
N-(3-fluorophenyl)-2-[(4-methoxypyrimidin-2-yl)-methylamino]acetamide
CID 17392065
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
2-(4-amino-N-methylanilino)-N-(3-methoxyphenyl)acetamide
CID 28894649
N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464513
2-(3-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 2709796
2-(N-acetyl-3-fluoroanilino)-N-(3-methoxyphenyl)acetamide
CID 113177692
2-(4-fluorophenoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylpropanamide
CID 42990044
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198587
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 38300605
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 38302528

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoropyrimidin-2-yl)-methylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[(5-fluoropyrimidin-2-yl)-methylamino]-N-(3-methoxyphenyl)acetamide (CID 86780450) is 2-[(5-fluoropyrimidin-2-yl)-methylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5-fluoropyrimidin-2-yl)-methylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(5-fluoropyrimidin-2-yl)-methylamino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN(C)c2ncc(F)cn2)c1.
What is the InChIKey of 2-[(5-fluoropyrimidin-2-yl)-methylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is IVRXILBFLQCFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-19(14-16-7-10(15)8-17-14)9-13(20)18-11-4-3-5-12(6-11)21-2/h3-8H,9H2,1-2H3,(H,18,20).
What are the key properties of 2-[(5-fluoropyrimidin-2-yl)-methylamino]-N-(3-methoxyphenyl)acetamide?
2-[(5-fluoropyrimidin-2-yl)-methylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 290.30 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoropyrimidin-2-yl)-methylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 86780450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).