2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]-2-methylpropanamide

C16H17Cl2N3O — CID 86712313

IUPAC2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)c1ccccc1CCc1nc(Cl)ncc1Cl
InChIInChI=1S/C16H17Cl2N3O/c1-16(2,14(19)22)11-6-4-3-5-10(11)7-8-13-12(17)9-20-15(18)21-13/h3-6,9H,7-8H2,1-2H3,(H2,19,22)
InChIKeyDLNIPYOSFPCATM-UHFFFAOYSA-N
MW338.24 g/mol
LogP3.33
Rot. Bonds5

About 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]-2-methylpropanamide

2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]-2-methylpropanamide (PubChem CID 86712313) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]-2-methylpropanamide
PubChem CID86712313
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC Name2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)c1ccccc1CCc1nc(Cl)ncc1Cl
InChIInChI=1S/C16H17Cl2N3O/c1-16(2,14(19)22)11-6-4-3-5-10(11)7-8-13-12(17)9-20-15(18)21-13/h3-6,9H,7-8H2,1-2H3,(H2,19,22)
InChIKeyDLNIPYOSFPCATM-UHFFFAOYSA-N
XLogP3.33
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylpyrimidin-2-yl)-3,3-diphenylpropanamide
CID 839083
1-[2-[2-[5-Chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide
CID 89995346
Butyramide, 4-[p-[bis(2-chloroethyl)amino]phenyl]-N-(4-methyl-2-pyrimidinyl)-
CID 256305
N-[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]butanamide
CID 134146826
2-(2-(2-(5-Chloro-2-(pyrimidin-5-ylamino)pyrimidin-4-yl)ethyl)phenyl)propanamide
CID 73294781
2-(2-(2-(5-Chloro-2-(6-methylpyridin-3-ylamino)pyrimidin-4-yl)ethyl)phenyl)propanamide
CID 73294782
2-(2-(2-(5-Chloro-2-(pyridazin-4-ylamino)pyrimidin-4-yl)ethyl)phenyl)propanamide
CID 73294783
2-(2-(2-(5-Chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)ethyl)phenyl)-2-methylpropanamide
CID 73294786
1-(2-(2-(2-((4-(1-Aminoethyl)phenyl)amino)-5-methylpyrimidin-4-yl)ethyl)phenyl)cyclopropanecarboxamide
CID 73294946
1-(2-(2-(5-Chloro-2-(pyridin-3-ylamino)pyrimidin-4-yl)ethyl)phenyl)cyclopropanecarboxamide
CID 73296429
1-(2-(2-(5-Chloro-2-((4-(1-methylpiperidin-4-yl)phenyl)amino)pyrimidin-4-yl)ethyl)phenyl)cyclopropanecarboxamide
CID 73296430
1-(2-(2-(5-Chloro-2-((6-(trifluoromethyl)pyridin-3-yl)amino)pyrimidin-4-yl)ethyl)phenyl)cyclopropanecarboxamide
CID 73296571

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]-2-methylpropanamide?
The IUPAC name of 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]-2-methylpropanamide (CID 86712313) is 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]-2-methylpropanamide?
The canonical SMILES for 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]-2-methylpropanamide is CC(C)(C(N)=O)c1ccccc1CCc1nc(Cl)ncc1Cl.
What is the InChIKey of 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]-2-methylpropanamide?
The InChIKey is DLNIPYOSFPCATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O/c1-16(2,14(19)22)11-6-4-3-5-10(11)7-8-13-12(17)9-20-15(18)21-13/h3-6,9H,7-8H2,1-2H3,(H2,19,22).
What are the key properties of 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]-2-methylpropanamide?
2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]-2-methylpropanamide has a molecular weight of 338.24 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 86712313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).