N-[6-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-(2,6-dimethylphenyl)-N-methylacetamide

C22H22ClN3O — CID 161431570

IUPACN-[6-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-(2,6-dimethylphenyl)-N-methylacetamide
SMILESCc1cccc(C)c1CC(=O)N(C)c1cc(Cc2cccc(Cl)c2)ncn1
InChIInChI=1S/C22H22ClN3O/c1-15-6-4-7-16(2)20(15)13-22(27)26(3)21-12-19(24-14-25-21)11-17-8-5-9-18(23)10-17/h4-10,12,14H,11,13H2,1-3H3
InChIKeyVYBVDYURYCCYBG-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.54
Rot. Bonds5

About N-[6-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-(2,6-dimethylphenyl)-N-methylacetamide

N-[6-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-(2,6-dimethylphenyl)-N-methylacetamide (PubChem CID 161431570) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is N-[6-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-(2,6-dimethylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[6-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-(2,6-dimethylphenyl)-N-methylacetamide
PubChem CID161431570
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC NameN-[6-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-(2,6-dimethylphenyl)-N-methylacetamide
SMILESCc1cccc(C)c1CC(=O)N(C)c1cc(Cc2cccc(Cl)c2)ncn1
InChIInChI=1S/C22H22ClN3O/c1-15-6-4-7-16(2)20(15)13-22(27)26(3)21-12-19(24-14-25-21)11-17-8-5-9-18(23)10-17/h4-10,12,14H,11,13H2,1-3H3
InChIKeyVYBVDYURYCCYBG-UHFFFAOYSA-N
XLogP4.54
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-benzylpyrimidin-4-yl)-2-(2-chloro-3,5-dimethoxyphenyl)-N-methylacetamide
CID 158170574
1-(3-chlorophenyl)-3-(2,6-dimethylphenyl)propane-2-thione
CID 161325475
2-(3-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60799246
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cycloheptyl-N-methylacetamide
CID 55668565
2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 110752851
2-[2-[(3-chlorophenyl)methyl]-4-methylthiophen-3-yl]acetic acid
CID 71774860
1-(3-chlorophenyl)propan-2-one
CID 2734097
N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-methylacetamide
CID 66185680
N-[(3-chlorophenyl)methyl]-6-fluoro-N-methylpyrimidin-4-amine
CID 115416604
3-(3-chlorophenyl)-2-(6-methylpyrimidin-4-yl)propanoic acid
CID 104573375
3-(3-chlorophenyl)-2-(3-methyl-2-pyridinyl)propanoic acid
CID 104573313
1-(2,5-dichlorophenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792475

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-(2,6-dimethylphenyl)-N-methylacetamide?
The IUPAC name of N-[6-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-(2,6-dimethylphenyl)-N-methylacetamide (CID 161431570) is N-[6-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-(2,6-dimethylphenyl)-N-methylacetamide.
What is the SMILES notation for N-[6-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-(2,6-dimethylphenyl)-N-methylacetamide?
The canonical SMILES for N-[6-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-(2,6-dimethylphenyl)-N-methylacetamide is Cc1cccc(C)c1CC(=O)N(C)c1cc(Cc2cccc(Cl)c2)ncn1.
What is the InChIKey of N-[6-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-(2,6-dimethylphenyl)-N-methylacetamide?
The InChIKey is VYBVDYURYCCYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c1-15-6-4-7-16(2)20(15)13-22(27)26(3)21-12-19(24-14-25-21)11-17-8-5-9-18(23)10-17/h4-10,12,14H,11,13H2,1-3H3.
What are the key properties of N-[6-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-(2,6-dimethylphenyl)-N-methylacetamide?
N-[6-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-(2,6-dimethylphenyl)-N-methylacetamide has a molecular weight of 379.89 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-2-(2,6-dimethylphenyl)-N-methylacetamide is sourced from PubChem (CID 161431570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).