N-[4-[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]phenyl]acetamide

C16H20N4O2 — CID 42065449

IUPACN-[4-[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(OC(C)C)nc(C)n2)cc1
InChIInChI=1S/C16H20N4O2/c1-10(2)22-16-9-15(17-11(3)18-16)20-14-7-5-13(6-8-14)19-12(4)21/h5-10H,1-4H3,(H,19,21)(H,17,18,20)
InChIKeyCZPHZSOXUITADO-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.27
Rot. Bonds5

About N-[4-[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]phenyl]acetamide

N-[4-[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]phenyl]acetamide (PubChem CID 42065449) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[4-[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]phenyl]acetamide
PubChem CID42065449
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[4-[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(OC(C)C)nc(C)n2)cc1
InChIInChI=1S/C16H20N4O2/c1-10(2)22-16-9-15(17-11(3)18-16)20-14-7-5-13(6-8-14)19-12(4)21/h5-10H,1-4H3,(H,19,21)(H,17,18,20)
InChIKeyCZPHZSOXUITADO-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 42065482
methyl 4-[[6-(4-acetamidoanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878805
N-[4-[[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]sulfamoyl]phenyl]acetamide
CID 42474727
N-[4-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]acetamide;ethene;molecular hydrogen
CID 156868242
N-[4-[[2-methyl-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112877053
N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-ethylbutanamide
CID 42474406
N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 50748481
N-[4-[[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112878807
N-(4-ethylphenyl)-2-methyl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112849449
1-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-phenylurea
CID 42474616
N-(3,5-dimethylphenyl)-2-methyl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112849129
2-methyl-N-propan-2-yl-6-propan-2-yloxypyrimidin-4-amine
CID 164548789

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]phenyl]acetamide (CID 42065449) is N-[4-[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2cc(OC(C)C)nc(C)n2)cc1.
What is the InChIKey of N-[4-[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]phenyl]acetamide?
The InChIKey is CZPHZSOXUITADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10(2)22-16-9-15(17-11(3)18-16)20-14-7-5-13(6-8-14)19-12(4)21/h5-10H,1-4H3,(H,19,21)(H,17,18,20).
What are the key properties of N-[4-[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]phenyl]acetamide?
N-[4-[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]phenyl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 42065449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).