N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide

C21H22N4O2 — CID 108749320

IUPACN-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide
SMILESCCc1ccc(Nc2cc(C)ncn2)cc1NC(=O)COc1ccccc1
InChIInChI=1S/C21H22N4O2/c1-3-16-9-10-17(24-20-11-15(2)22-14-23-20)12-19(16)25-21(26)13-27-18-7-5-4-6-8-18/h4-12,14H,3,13H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyYZZNNDFVGCYGDO-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.11
Rot. Bonds7

About N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide

N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide (PubChem CID 108749320) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide
PubChem CID108749320
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide
SMILESCCc1ccc(Nc2cc(C)ncn2)cc1NC(=O)COc1ccccc1
InChIInChI=1S/C21H22N4O2/c1-3-16-9-10-17(24-20-11-15(2)22-14-23-20)12-19(16)25-21(26)13-27-18-7-5-4-6-8-18/h4-12,14H,3,13H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyYZZNNDFVGCYGDO-UHFFFAOYSA-N
XLogP4.11
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-2-(2-prop-2-enoxyphenoxy)acetamide
CID 108771284
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]acetamide
CID 108811616
methyl 2-[[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]carbamoyl]benzoate
CID 108749414
N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-2,6-dimethoxybenzamide
CID 108771191
3-amino-N-[2-ethyl-5-[(2-phenoxyacetyl)amino]phenyl]propanamide
CID 82034547
5-bromo-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide
CID 108771216
2-(4-bromophenoxy)-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]propanamide
CID 108749456
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]butanamide
CID 108810270
4-(5-chloro-2-methoxyphenyl)-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-4-oxobutanamide
CID 108749437
N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108749311
N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-1,3-benzoxazole-5-carboxamide
CID 108811736
ethyl 6-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]anilino]pyridazine-3-carboxylate
CID 108780035

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide (CID 108749320) is N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide is CCc1ccc(Nc2cc(C)ncn2)cc1NC(=O)COc1ccccc1.
What is the InChIKey of N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide?
The InChIKey is YZZNNDFVGCYGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-16-9-10-17(24-20-11-15(2)22-14-23-20)12-19(16)25-21(26)13-27-18-7-5-4-6-8-18/h4-12,14H,3,13H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide?
N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide has a molecular weight of 362.43 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 108749320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).