N-(2-aminoethyl)acetamide;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide

C46H59ClN10O4 — CID 158007078

IUPACN-(2-aminoethyl)acetamide;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCN.CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(COC3CCCCC3)cc12.Clc1nc(-c2ccccc2)nc2[nH]c(COC3CCCCC3)cc12
InChIInChI=1S/C23H29N5O2.C19H20ClN3O.C4H10N2O/c1-16(29)24-12-13-25-22-20-14-18(15-30-19-10-6-3-7-11-19)26-23(20)28-21(27-22)17-8-4-2-5-9-17;20-17-16-11-14(12-24-15-9-5-2-6-10-15)21-19(16)23-18(22-17)13-7-3-1-4-8-13;1-4(7)6-3-2-5/h2,4-5,8-9,14,19H,3,6-7,10-13,15H2,1H3,(H,24,29)(H2,25,26,27,28);1,3-4,7-8,11,15H,2,5-6,9-10,12H2,(H,21,22,23);2-3,5H2,1H3,(H,6,7)
InChIKeyFEKPKYQXLQDBOJ-UHFFFAOYSA-N
MW851.50 g/mol
LogP8.23
Rot. Bonds14

About N-(2-aminoethyl)acetamide;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide

N-(2-aminoethyl)acetamide;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide (PubChem CID 158007078) has the molecular formula C46H59ClN10O4 and a molecular weight of 851.50 g/mol. Its IUPAC name is N-(2-aminoethyl)acetamide;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)acetamide;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
PubChem CID158007078
Molecular FormulaC46H59ClN10O4
Molecular Weight851.50 g/mol
Exact Mass850.44
IUPAC NameN-(2-aminoethyl)acetamide;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCN.CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(COC3CCCCC3)cc12.Clc1nc(-c2ccccc2)nc2[nH]c(COC3CCCCC3)cc12
InChIInChI=1S/C23H29N5O2.C19H20ClN3O.C4H10N2O/c1-16(29)24-12-13-25-22-20-14-18(15-30-19-10-6-3-7-11-19)26-23(20)28-21(27-22)17-8-4-2-5-9-17;20-17-16-11-14(12-24-15-9-5-2-6-10-15)21-19(16)23-18(22-17)13-7-3-1-4-8-13;1-4(7)6-3-2-5/h2,4-5,8-9,14,19H,3,6-7,10-13,15H2,1H3,(H,24,29)(H2,25,26,27,28);1,3-4,7-8,11,15H,2,5-6,9-10,12H2,(H,21,22,23);2-3,5H2,1H3,(H,6,7)
InChIKeyFEKPKYQXLQDBOJ-UHFFFAOYSA-N
XLogP8.23
TPSA197.85 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500851.50
LogP ≤ 58.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-(2-aminoethyl)acetamide;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]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

N-[2-[[6-[[1-[2-(2-chloro-4-fluorophenyl)ethyl]piperidin-4-yl]oxymethyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 10128965
N-[2-[[2-phenyl-6-[[1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]oxymethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 10129079
N-[2-[[6-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]oxymethyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 10174815
N-[2-[[6-[[1-[2-(2-chloro-6-fluorophenyl)ethyl]piperidin-4-yl]oxymethyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 10175105
N-[2-[[2-phenyl-6-[1-piperidin-4-yloxy-3-[2-(trifluoromethyl)phenyl]propyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 68564336
N-[2-[[6-[3-(2-chloro-4-fluorophenyl)-1-piperidin-4-yloxypropyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 68564405
N-[2-[[6-[3-(2-chloro-6-fluorophenyl)-1-piperidin-4-yloxypropyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 68565535
N-[2-[[6-[3-(4-fluorophenyl)-1-piperidin-4-yloxypropyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 68566183
N-{2-[2-Phenyl-6-(piperidin-4-yloxymethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino}ethyl)acetamide trifluoroacetic acid salt
CID 68566227
N-[2-[[6-[[1-[2-(2-bromophenyl)ethyl]piperidin-4-yl]oxymethyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 10153202
(2R)-2-[[[6-[(3-chlorophenoxy)methyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-N-methylpiperidine-1-carboxamide
CID 10164238
N-[2-[[2-phenyl-6-[[1-(3-phenylpropyl)piperidin-4-yl]oxymethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 10174773

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)acetamide;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?
The IUPAC name of N-(2-aminoethyl)acetamide;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide (CID 158007078) is N-(2-aminoethyl)acetamide;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)acetamide;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for N-(2-aminoethyl)acetamide;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide is CC(=O)NCCN.CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(COC3CCCCC3)cc12.Clc1nc(-c2ccccc2)nc2[nH]c(COC3CCCCC3)cc12.
What is the InChIKey of N-(2-aminoethyl)acetamide;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?
The InChIKey is FEKPKYQXLQDBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2.C19H20ClN3O.C4H10N2O/c1-16(29)24-12-13-25-22-20-14-18(15-30-19-10-6-3-7-11-19)26-23(20)28-21(27-22)17-8-4-2-5-9-17;20-17-16-11-14(12-24-15-9-5-2-6-10-15)21-19(16)23-18(22-17)13-7-3-1-4-8-13;1-4(7)6-3-2-5/h2,4-5,8-9,14,19H,3,6-7,10-13,15H2,1H3,(H,24,29)(H2,25,26,27,28);1,3-4,7-8,11,15H,2,5-6,9-10,12H2,(H,21,22,23);2-3,5H2,1H3,(H,6,7).
What are the key properties of N-(2-aminoethyl)acetamide;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?
N-(2-aminoethyl)acetamide;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide has a molecular weight of 851.50 g/mol, XLogP of 8.23, 14 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)acetamide;4-chloro-6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;N-[2-[[6-(cyclohexyloxymethyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 158007078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).