N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide

C23H30N6O2 — CID 112801450

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide
SMILESCOc1ccc(C(NCC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)C(C)C)cc1
InChIInChI=1S/C23H30N6O2/c1-14(2)22(18-7-9-19(31-6)10-8-18)24-13-21(30)27-20-12-17(5)28-29(20)23-25-15(3)11-16(4)26-23/h7-12,14,22,24H,13H2,1-6H3,(H,27,30)
InChIKeyKPMMUYBFOLLZBX-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.52
Rot. Bonds8

About N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide (PubChem CID 112801450) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide
PubChem CID112801450
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide
SMILESCOc1ccc(C(NCC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)C(C)C)cc1
InChIInChI=1S/C23H30N6O2/c1-14(2)22(18-7-9-19(31-6)10-8-18)24-13-21(30)27-20-12-17(5)28-29(20)23-25-15(3)11-16(4)26-23/h7-12,14,22,24H,13H2,1-6H3,(H,27,30)
InChIKeyKPMMUYBFOLLZBX-UHFFFAOYSA-N
XLogP3.52
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 2334617
methyl (2R)-2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]amino]-3,3-dimethylbutanoate
CID 96536664
2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide
CID 75459806
2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide
CID 97305872
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1,2-diphenylethylamino)acetamide
CID 78826272
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-naphthalen-1-ylethylamino)acetamide
CID 112800974
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide
CID 2359697
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide
CID 2332242
2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78825412
[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-[(4-methoxycarbonylphenyl)methyl]azanium
CID 2335899
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 31880510
N-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131563

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide (CID 112801450) is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide is COc1ccc(C(NCC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)C(C)C)cc1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide?
The InChIKey is KPMMUYBFOLLZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-14(2)22(18-7-9-19(31-6)10-8-18)24-13-21(30)27-20-12-17(5)28-29(20)23-25-15(3)11-16(4)26-23/h7-12,14,22,24H,13H2,1-6H3,(H,27,30).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide has a molecular weight of 422.53 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide is sourced from PubChem (CID 112801450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).