N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(1H-indol-3-yl)acetamide

C21H26N6O — CID 122357083

IUPACN-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(1H-indol-3-yl)acetamide
SMILESCc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C21H26N6O/c1-14-20(15(2)24-21(23-14)27-10-8-26(3)9-11-27)25-19(28)12-16-13-22-18-7-5-4-6-17(16)18/h4-7,13,22H,8-12H2,1-3H3,(H,25,28)
InChIKeyUHHLYOUXUOTMGO-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.51
Rot. Bonds4

About N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(1H-indol-3-yl)acetamide

N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(1H-indol-3-yl)acetamide (PubChem CID 122357083) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(1H-indol-3-yl)acetamide
PubChem CID122357083
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(1H-indol-3-yl)acetamide
SMILESCc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C21H26N6O/c1-14-20(15(2)24-21(23-14)27-10-8-26(3)9-11-27)25-19(28)12-16-13-22-18-7-5-4-6-17(16)18/h4-7,13,22H,8-12H2,1-3H3,(H,25,28)
InChIKeyUHHLYOUXUOTMGO-UHFFFAOYSA-N
XLogP2.51
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 74230811
2-(1H-indol-3-yl)-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide
CID 91967492
2-(1H-indol-3-yl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 121090431
2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 47081718
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(4-fluorophenyl)acetamide
CID 71807259
N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-2-(1H-indol-3-yl)acetamide
CID 122148683
3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide
CID 78909578
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(4-methylphenoxy)acetamide
CID 122357173
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 122357170
N-(2,3-dimethylquinoxalin-6-yl)-2-(1H-indol-3-yl)acetamide
CID 110743801
N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-(1H-indol-3-yl)acetamide
CID 39854243
2-(1H-indol-3-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 43420110

Frequently Asked Questions

What is the IUPAC name of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(1H-indol-3-yl)acetamide (CID 122357083) is N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(1H-indol-3-yl)acetamide is Cc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is UHHLYOUXUOTMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-14-20(15(2)24-21(23-14)27-10-8-26(3)9-11-27)25-19(28)12-16-13-22-18-7-5-4-6-17(16)18/h4-7,13,22H,8-12H2,1-3H3,(H,25,28).
What are the key properties of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(1H-indol-3-yl)acetamide?
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 378.48 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 122357083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).