2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide

C20H25N5O — CID 56881175

IUPAC2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide
SMILESCCc1[nH]c2ccc(CNC(=O)Cc3c(C)nc(N)nc3C)cc2c1C
InChIInChI=1S/C20H25N5O/c1-5-17-11(2)15-8-14(6-7-18(15)25-17)10-22-19(26)9-16-12(3)23-20(21)24-13(16)4/h6-8,25H,5,9-10H2,1-4H3,(H,22,26)(H2,21,23,24)
InChIKeyXEYMHNODUZAZHO-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.89
Rot. Bonds5

About 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide

2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide (PubChem CID 56881175) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide
PubChem CID56881175
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide
SMILESCCc1[nH]c2ccc(CNC(=O)Cc3c(C)nc(N)nc3C)cc2c1C
InChIInChI=1S/C20H25N5O/c1-5-17-11(2)15-8-14(6-7-18(15)25-17)10-22-19(26)9-16-12(3)23-20(21)24-13(16)4/h6-8,25H,5,9-10H2,1-4H3,(H,22,26)(H2,21,23,24)
InChIKeyXEYMHNODUZAZHO-UHFFFAOYSA-N
XLogP2.89
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide
CID 56871225
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide
CID 95563368
2-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide
CID 11473907
(3S)-1-(2-amino-2-oxoethyl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]piperidine-3-carboxamide
CID 95563364
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-ethyl-3-methyl-1H-indol-5-yl)methanamine
CID 25278913
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 26390650
[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 56868954
1-[2-(dimethylamino)ethyl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 56875729
2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 110785613
N-[2-(diethylamino)ethyl]-2-(5-ethyl-2-methyl-1H-indol-3-yl)acetamide
CID 25246473
ethyl 5-(acetamidomethyl)-3-(2-aminoethyl)-1H-indole-2-carboxylate
CID 15531146
3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 84578399

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide?
The IUPAC name of 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide (CID 56881175) is 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide is CCc1[nH]c2ccc(CNC(=O)Cc3c(C)nc(N)nc3C)cc2c1C.
What is the InChIKey of 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide?
The InChIKey is XEYMHNODUZAZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-5-17-11(2)15-8-14(6-7-18(15)25-17)10-22-19(26)9-16-12(3)23-20(21)24-13(16)4/h6-8,25H,5,9-10H2,1-4H3,(H,22,26)(H2,21,23,24).
What are the key properties of 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide?
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide is sourced from PubChem (CID 56881175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).