2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide

C19H23N5O2 — CID 91640593

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide
SMILESCOc1cccc2c1ccn2CCNC(=O)CNc1nc(C)cc(C)n1
InChIInChI=1S/C19H23N5O2/c1-13-11-14(2)23-19(22-13)21-12-18(25)20-8-10-24-9-7-15-16(24)5-4-6-17(15)26-3/h4-7,9,11H,8,10,12H2,1-3H3,(H,20,25)(H,21,22,23)
InChIKeyYMEDXJNSSTXAEX-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.29
Rot. Bonds7

About 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide

2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide (PubChem CID 91640593) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide
PubChem CID91640593
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide
SMILESCOc1cccc2c1ccn2CCNC(=O)CNc1nc(C)cc(C)n1
InChIInChI=1S/C19H23N5O2/c1-13-11-14(2)23-19(22-13)21-12-18(25)20-8-10-24-9-7-15-16(24)5-4-6-17(15)26-3/h4-7,9,11H,8,10,12H2,1-3H3,(H,20,25)(H,21,22,23)
InChIKeyYMEDXJNSSTXAEX-UHFFFAOYSA-N
XLogP2.29
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide with MolForge

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Related Compounds

N-[2-(4-methoxyindol-1-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 71705067
N-[2-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
CID 91638636
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyindol-1-yl)ethyl]propanamide
CID 71710011
N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 110205311
5,6-dimethoxy-N-[2-(4-methoxyindol-1-yl)ethyl]-1H-indole-2-carboxamide
CID 71825514
methyl 3-(4-methoxyindol-1-yl)propanoate
CID 83162468
N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 136867017
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 91823103
tert-butyl 3-(4-methoxyindol-1-yl)propanoate
CID 116662779
2-(4-methoxyindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 83173338
methyl 4-(4-methoxyindol-1-yl)butanoate
CID 83163082
(2S)-N-[2-(4-methoxyindol-1-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71829507

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide (CID 91640593) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide is COc1cccc2c1ccn2CCNC(=O)CNc1nc(C)cc(C)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide?
The InChIKey is YMEDXJNSSTXAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-11-14(2)23-19(22-13)21-12-18(25)20-8-10-24-9-7-15-16(24)5-4-6-17(15)26-3/h4-7,9,11H,8,10,12H2,1-3H3,(H,20,25)(H,21,22,23).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide has a molecular weight of 353.43 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide is sourced from PubChem (CID 91640593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).