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

C26H28N6O — CID 78826272

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1,2-diphenylethylamino)acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CNC(Cc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C26H28N6O/c1-18-14-19(2)29-26(28-18)32-24(15-20(3)31-32)30-25(33)17-27-23(22-12-8-5-9-13-22)16-21-10-6-4-7-11-21/h4-15,23,27H,16-17H2,1-3H3,(H,30,33)
InChIKeyUNJCGRNCOIXUNJ-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.10
Rot. Bonds8

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

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1,2-diphenylethylamino)acetamide (PubChem CID 78826272) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1,2-diphenylethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1,2-diphenylethylamino)acetamide
PubChem CID78826272
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1,2-diphenylethylamino)acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CNC(Cc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C26H28N6O/c1-18-14-19(2)29-26(28-18)32-24(15-20(3)31-32)30-25(33)17-27-23(22-12-8-5-9-13-22)16-21-10-6-4-7-11-21/h4-15,23,27H,16-17H2,1-3H3,(H,30,33)
InChIKeyUNJCGRNCOIXUNJ-UHFFFAOYSA-N
XLogP4.10
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(dimethylamino)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138086
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(pyrrolidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138087
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(piperidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138088
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138090
N-[6-(6-aminopyridin-2-yl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl]acetamide
CID 25069603
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide
CID 25138072
Difenamizole
CID 65695
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138073
N-[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]ethenyl]phenyl]prop-2-enamide
CID 155804588
(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-phenyl-2-pyridinyl)propanamide
CID 122234475
N-[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]ethenyl]phenyl]prop-2-enamide
CID 162643507
N-[4-[(E)-2-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]ethenyl]phenyl]prop-2-enamide
CID 162650418

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1,2-diphenylethylamino)acetamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1,2-diphenylethylamino)acetamide (CID 78826272) is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1,2-diphenylethylamino)acetamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1,2-diphenylethylamino)acetamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1,2-diphenylethylamino)acetamide is Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CNC(Cc2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1,2-diphenylethylamino)acetamide?
The InChIKey is UNJCGRNCOIXUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-18-14-19(2)29-26(28-18)32-24(15-20(3)31-32)30-25(33)17-27-23(22-12-8-5-9-13-22)16-21-10-6-4-7-11-21/h4-15,23,27H,16-17H2,1-3H3,(H,30,33).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1,2-diphenylethylamino)acetamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1,2-diphenylethylamino)acetamide has a molecular weight of 440.55 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1,2-diphenylethylamino)acetamide is sourced from PubChem (CID 78826272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).