4-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylbenzamide

C20H24N6O — CID 119062826

IUPAC4-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylbenzamide
SMILESCc1cc(-c2ccc(C(=O)N(C)CCn3nc(C)cc3C)cc2)nc(N)n1
InChIInChI=1S/C20H24N6O/c1-13-12-18(23-20(21)22-13)16-5-7-17(8-6-16)19(27)25(4)9-10-26-15(3)11-14(2)24-26/h5-8,11-12H,9-10H2,1-4H3,(H2,21,22,23)
InChIKeyFZRNZGDHVNSKBM-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.62
Rot. Bonds5

About 4-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylbenzamide

4-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylbenzamide (PubChem CID 119062826) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylbenzamide
PubChem CID119062826
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name4-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylbenzamide
SMILESCc1cc(-c2ccc(C(=O)N(C)CCn3nc(C)cc3C)cc2)nc(N)n1
InChIInChI=1S/C20H24N6O/c1-13-12-18(23-20(21)22-13)16-5-7-17(8-6-16)19(27)25(4)9-10-26-15(3)11-14(2)24-26/h5-8,11-12H,9-10H2,1-4H3,(H2,21,22,23)
InChIKeyFZRNZGDHVNSKBM-UHFFFAOYSA-N
XLogP2.62
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-naphthalen-2-ylmethanone
CID 118471483
2-[6,8-dimethyl-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide
CID 44197008
N,N-diethyl-2-[2-[4-(4-fluorobut-1-ynyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 76310900
N,N-diethyl-2-[2-[4-(3-fluoroprop-1-ynyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 76314543
N,N-diethyl-2-[2-[4-(5-fluoropent-1-ynyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 76328987
N,N-diethyl-2-[2-[4-(6-fluorohex-1-ynyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 76332665
[3-(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-naphthalen-2-ylmethanone
CID 118470985
(5,7-Diphenylpyrazolo[1,5-a]pyrimidin-2-yl)(4-methylpiperazin-1-yl)methanone
CID 1050346
N-benzyl-2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methylacetamide
CID 134134890
2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-propylacetamide
CID 134149469
2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide
CID 134152661
5-(4-Methylphenyl)-2-(1-piperidinylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1113948

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylbenzamide?
The IUPAC name of 4-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylbenzamide (CID 119062826) is 4-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 4-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylbenzamide?
The canonical SMILES for 4-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylbenzamide is Cc1cc(-c2ccc(C(=O)N(C)CCn3nc(C)cc3C)cc2)nc(N)n1.
What is the InChIKey of 4-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylbenzamide?
The InChIKey is FZRNZGDHVNSKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-13-12-18(23-20(21)22-13)16-5-7-17(8-6-16)19(27)25(4)9-10-26-15(3)11-14(2)24-26/h5-8,11-12H,9-10H2,1-4H3,(H2,21,22,23).
What are the key properties of 4-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylbenzamide?
4-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylbenzamide has a molecular weight of 364.45 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 119062826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).