2-[4-[2-[5-fluoro-6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]pyrimidin-4-yl]ethyl]phenyl]acetamide

C27H27FN4O2 — CID 162259564

IUPAC2-[4-[2-[5-fluoro-6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]pyrimidin-4-yl]ethyl]phenyl]acetamide
SMILESCOc1ccc2cc(CN(C)c3ncnc(CCc4ccc(CC(N)=O)cc4)c3F)ccc2c1
InChIInChI=1S/C27H27FN4O2/c1-32(16-20-7-9-22-15-23(34-2)11-10-21(22)13-20)27-26(28)24(30-17-31-27)12-8-18-3-5-19(6-4-18)14-25(29)33/h3-7,9-11,13,15,17H,8,12,14,16H2,1-2H3,(H2,29,33)
InChIKeyZZAYSYULKAQPMZ-UHFFFAOYSA-N
MW458.54 g/mol
LogP4.23
Rot. Bonds9

About 2-[4-[2-[5-fluoro-6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]pyrimidin-4-yl]ethyl]phenyl]acetamide

2-[4-[2-[5-fluoro-6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]pyrimidin-4-yl]ethyl]phenyl]acetamide (PubChem CID 162259564) has the molecular formula C27H27FN4O2 and a molecular weight of 458.54 g/mol. Its IUPAC name is 2-[4-[2-[5-fluoro-6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]pyrimidin-4-yl]ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[5-fluoro-6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]pyrimidin-4-yl]ethyl]phenyl]acetamide
PubChem CID162259564
Molecular FormulaC27H27FN4O2
Molecular Weight458.54 g/mol
Exact Mass458.21
IUPAC Name2-[4-[2-[5-fluoro-6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]pyrimidin-4-yl]ethyl]phenyl]acetamide
SMILESCOc1ccc2cc(CN(C)c3ncnc(CCc4ccc(CC(N)=O)cc4)c3F)ccc2c1
InChIInChI=1S/C27H27FN4O2/c1-32(16-20-7-9-22-15-23(34-2)11-10-21(22)13-20)27-26(28)24(30-17-31-27)12-8-18-3-5-19(6-4-18)14-25(29)33/h3-7,9-11,13,15,17H,8,12,14,16H2,1-2H3,(H2,29,33)
InChIKeyZZAYSYULKAQPMZ-UHFFFAOYSA-N
XLogP4.23
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-[5-fluoro-6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]pyrimidin-4-yl]ethyl]phenyl]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

1-hydroxy-1-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 19780510
N-[2-(4-fluorophenyl)ethyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 18088830
(2R)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpropanamide
CID 119272237
(2R)-2-(4-fluorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 31882368
4-(2-amino-2-oxoethoxy)-3-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 8529251
4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80794758
N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine
CID 165435267
2-hydroxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 115140024
N-[2-(2-fluorophenyl)ethyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 8925417
ethane;1-(6-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine
CID 142950158
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]butanoic acid
CID 65068401
2-[1-[2-(7-methoxynaphthalen-2-yl)ethyl]imidazol-4-yl]acetamide
CID 57265773

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[5-fluoro-6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]pyrimidin-4-yl]ethyl]phenyl]acetamide?
The IUPAC name of 2-[4-[2-[5-fluoro-6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]pyrimidin-4-yl]ethyl]phenyl]acetamide (CID 162259564) is 2-[4-[2-[5-fluoro-6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]pyrimidin-4-yl]ethyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-[5-fluoro-6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]pyrimidin-4-yl]ethyl]phenyl]acetamide?
The canonical SMILES for 2-[4-[2-[5-fluoro-6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]pyrimidin-4-yl]ethyl]phenyl]acetamide is COc1ccc2cc(CN(C)c3ncnc(CCc4ccc(CC(N)=O)cc4)c3F)ccc2c1.
What is the InChIKey of 2-[4-[2-[5-fluoro-6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]pyrimidin-4-yl]ethyl]phenyl]acetamide?
The InChIKey is ZZAYSYULKAQPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O2/c1-32(16-20-7-9-22-15-23(34-2)11-10-21(22)13-20)27-26(28)24(30-17-31-27)12-8-18-3-5-19(6-4-18)14-25(29)33/h3-7,9-11,13,15,17H,8,12,14,16H2,1-2H3,(H2,29,33).
What are the key properties of 2-[4-[2-[5-fluoro-6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]pyrimidin-4-yl]ethyl]phenyl]acetamide?
2-[4-[2-[5-fluoro-6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]pyrimidin-4-yl]ethyl]phenyl]acetamide has a molecular weight of 458.54 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[5-fluoro-6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]pyrimidin-4-yl]ethyl]phenyl]acetamide is sourced from PubChem (CID 162259564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).