N-cyclopropyl-2-[[7-(2-hydroxyethoxymethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]acetamide

C20H23N5O3 — CID 11589023

IUPACN-cyclopropyl-2-[[7-(2-hydroxyethoxymethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]acetamide
SMILESO=C(CNc1ncnc2c1c(-c1ccccc1)cn2COCCO)NC1CC1
InChIInChI=1S/C20H23N5O3/c26-8-9-28-13-25-11-16(14-4-2-1-3-5-14)18-19(22-12-23-20(18)25)21-10-17(27)24-15-6-7-15/h1-5,11-12,15,26H,6-10,13H2,(H,24,27)(H,21,22,23)
InChIKeyAOFQNKSGOISTOW-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.76
Rot. Bonds9

About N-cyclopropyl-2-[[7-(2-hydroxyethoxymethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]acetamide

N-cyclopropyl-2-[[7-(2-hydroxyethoxymethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]acetamide (PubChem CID 11589023) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-cyclopropyl-2-[[7-(2-hydroxyethoxymethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[7-(2-hydroxyethoxymethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]acetamide
PubChem CID11589023
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-cyclopropyl-2-[[7-(2-hydroxyethoxymethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]acetamide
SMILESO=C(CNc1ncnc2c1c(-c1ccccc1)cn2COCCO)NC1CC1
InChIInChI=1S/C20H23N5O3/c26-8-9-28-13-25-11-16(14-4-2-1-3-5-14)18-19(22-12-23-20(18)25)21-10-17(27)24-15-6-7-15/h1-5,11-12,15,26H,6-10,13H2,(H,24,27)(H,21,22,23)
InChIKeyAOFQNKSGOISTOW-UHFFFAOYSA-N
XLogP1.76
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 9025411
5-phenyl-7-(2-phenylmethoxyethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 11646472
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 115914667
N-cyclopentyl-2-(7-phenyl-4-thiomorpholin-4-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide
CID 50836953
N-cyclopropyl-2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetamide
CID 80907485
7-(4-chlorophenyl)-N-cyclopropyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 50749551
N-cyclopentyl-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 1154282
tert-butyl (3R)-3-[[5-bromo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 140780943
N-cyclopropyl-2-[(3-methylquinoxalin-2-yl)amino]acetamide
CID 60734132
N-benzyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 3523813
tert-butyl 4-[4-amino-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]piperidine-1-carboxylate
CID 170747040
N-cyclopentyl-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 50795598

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[7-(2-hydroxyethoxymethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[7-(2-hydroxyethoxymethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]acetamide (CID 11589023) is N-cyclopropyl-2-[[7-(2-hydroxyethoxymethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[7-(2-hydroxyethoxymethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[7-(2-hydroxyethoxymethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]acetamide is O=C(CNc1ncnc2c1c(-c1ccccc1)cn2COCCO)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[7-(2-hydroxyethoxymethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]acetamide?
The InChIKey is AOFQNKSGOISTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c26-8-9-28-13-25-11-16(14-4-2-1-3-5-14)18-19(22-12-23-20(18)25)21-10-17(27)24-15-6-7-15/h1-5,11-12,15,26H,6-10,13H2,(H,24,27)(H,21,22,23).
What are the key properties of N-cyclopropyl-2-[[7-(2-hydroxyethoxymethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]acetamide?
N-cyclopropyl-2-[[7-(2-hydroxyethoxymethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]acetamide has a molecular weight of 381.44 g/mol, XLogP of 1.76, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[7-(2-hydroxyethoxymethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 11589023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).