N-[5-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-2-methoxyphenyl]acetamide

C16H20N4O2 — CID 84594653

IUPACN-[5-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(CNc2ncc(C)c(C)n2)cc1NC(C)=O
InChIInChI=1S/C16H20N4O2/c1-10-8-17-16(19-11(10)2)18-9-13-5-6-15(22-4)14(7-13)20-12(3)21/h5-8H,9H2,1-4H3,(H,20,21)(H,17,18,19)
InChIKeyDNHUOIHNHLBTDY-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.67
Rot. Bonds5

About N-[5-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-2-methoxyphenyl]acetamide

N-[5-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-2-methoxyphenyl]acetamide (PubChem CID 84594653) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[5-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-2-methoxyphenyl]acetamide
PubChem CID84594653
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[5-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(CNc2ncc(C)c(C)n2)cc1NC(C)=O
InChIInChI=1S/C16H20N4O2/c1-10-8-17-16(19-11(10)2)18-9-13-5-6-15(22-4)14(7-13)20-12(3)21/h5-8H,9H2,1-4H3,(H,20,21)(H,17,18,19)
InChIKeyDNHUOIHNHLBTDY-UHFFFAOYSA-N
XLogP2.67
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide
CID 13465084
N-(2-methoxy-5-methylphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256299
N-[(3-acetamido-4-methoxyphenyl)methyl]propanamide
CID 110783895
N-[5-[(tert-butylcarbamoylamino)methyl]-2-methoxyphenyl]acetamide
CID 110775274
N-[2-methoxy-5-[[[N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]carbamimidoyl]amino]methyl]phenyl]acetamide;hydroiodide
CID 111523965
N-[2-methoxy-5-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]phenyl]acetamide
CID 133400854
N-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306411
2-[(3,4-dimethoxyphenyl)methylamino]-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 91915946
2-[(4-methoxyphenyl)methylamino]-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 20959733
N-[5-[(3-chloro-4-cyanoanilino)methyl]-2-methoxyphenyl]acetamide
CID 133300427
N-[2-methoxy-5-[[[(3S)-spiro[3.4]octan-3-yl]amino]methyl]phenyl]acetamide
CID 100690841
N-(2,5-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190528

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-2-methoxyphenyl]acetamide (CID 84594653) is N-[5-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-2-methoxyphenyl]acetamide is COc1ccc(CNc2ncc(C)c(C)n2)cc1NC(C)=O.
What is the InChIKey of N-[5-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-2-methoxyphenyl]acetamide?
The InChIKey is DNHUOIHNHLBTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10-8-17-16(19-11(10)2)18-9-13-5-6-15(22-4)14(7-13)20-12(3)21/h5-8H,9H2,1-4H3,(H,20,21)(H,17,18,19).
What are the key properties of N-[5-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-2-methoxyphenyl]acetamide?
N-[5-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-2-methoxyphenyl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 84594653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).