N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-2,2-dimethylpropanamide

C15H15Cl2N3O — CID 71292603

IUPACN-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C15H15Cl2N3O/c1-15(2,3)14(21)20-13-7-12(18-8-19-13)9-4-5-10(16)11(17)6-9/h4-8H,1-3H3,(H,18,19,20,21)
InChIKeyAZGLNZIRLFGGIZ-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.43
Rot. Bonds2

About N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-2,2-dimethylpropanamide

N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 71292603) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-2,2-dimethylpropanamide
PubChem CID71292603
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC NameN-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C15H15Cl2N3O/c1-15(2,3)14(21)20-13-7-12(18-8-19-13)9-4-5-10(16)11(17)6-9/h4-8H,1-3H3,(H,18,19,20,21)
InChIKeyAZGLNZIRLFGGIZ-UHFFFAOYSA-N
XLogP4.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-2,2-dimethylpropanamide (CID 71292603) is N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)ncn1.
What is the InChIKey of N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is AZGLNZIRLFGGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-15(2,3)14(21)20-13-7-12(18-8-19-13)9-4-5-10(16)11(17)6-9/h4-8H,1-3H3,(H,18,19,20,21).
What are the key properties of N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-2,2-dimethylpropanamide?
N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 324.21 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 71292603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).