N-[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]acetamide

C12H10Cl2N4O — CID 10613916

IUPACN-[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C12H10Cl2N4O/c1-7(19)15-8-2-4-9(5-3-8)16-11-6-10(13)17-12(14)18-11/h2-6H,1H3,(H,15,19)(H,16,17,18)
InChIKeyGDHUTGHYWUBNBZ-UHFFFAOYSA-N
MW297.15 g/mol
LogP3.49
Rot. Bonds3

About N-[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]acetamide

N-[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]acetamide (PubChem CID 10613916) has the molecular formula C12H10Cl2N4O and a molecular weight of 297.15 g/mol. Its IUPAC name is N-[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]acetamide
PubChem CID10613916
Molecular FormulaC12H10Cl2N4O
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC NameN-[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C12H10Cl2N4O/c1-7(19)15-8-2-4-9(5-3-8)16-11-6-10(13)17-12(14)18-11/h2-6H,1H3,(H,15,19)(H,16,17,18)
InChIKeyGDHUTGHYWUBNBZ-UHFFFAOYSA-N
XLogP3.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(2,6-dichloropyrimidin-4-yl)amino]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

2,6-dichloro-N-(3,5-dichlorophenyl)pyrimidin-4-amine
CID 10380610
N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 11763127
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 58626080
N-[4-[[4-(3,5-dichloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112905832
N-[4-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]acetamide;ethene;molecular hydrogen
CID 156868242
ethyl 5-[(2,6-dichloropyrimidin-4-yl)amino]-1-benzoselenophene-2-carboxylate
CID 142737007
N-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]-N-methylacetamide
CID 47464161
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]acetamide
CID 112990326
N-[4-[[2-methyl-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112877053
methyl 4-[[6-(4-acetamidoanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878805
N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866239

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]acetamide (CID 10613916) is N-[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2cc(Cl)nc(Cl)n2)cc1.
What is the InChIKey of N-[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]acetamide?
The InChIKey is GDHUTGHYWUBNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O/c1-7(19)15-8-2-4-9(5-3-8)16-11-6-10(13)17-12(14)18-11/h2-6H,1H3,(H,15,19)(H,16,17,18).
What are the key properties of N-[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]acetamide?
N-[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]acetamide has a molecular weight of 297.15 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 10613916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).