4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

C17H18N6O2 — CID 70932286

IUPAC4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(C(N)=O)cc12
InChIInChI=1S/C17H18N6O2/c1-10(24)19-7-8-20-16-12-9-13(14(18)25)21-17(12)23-15(22-16)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,18,25)(H,19,24)(H2,20,21,22,23)
InChIKeyCTMADUTUKXBIAE-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.27
Rot. Bonds6

About 4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 70932286) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID70932286
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(C(N)=O)cc12
InChIInChI=1S/C17H18N6O2/c1-10(24)19-7-8-20-16-12-9-13(14(18)25)21-17(12)23-15(22-16)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,18,25)(H,19,24)(H2,20,21,22,23)
InChIKeyCTMADUTUKXBIAE-UHFFFAOYSA-N
XLogP1.27
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 68569057
3-[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]propanoic acid
CID 71056150
N-[2-[[6-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 59128439
N-[2-[[6-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 10151783
N-[4-[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl]piperazin-1-yl]benzamide
CID 142667946
[1-[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl]-4-(ethylamino)piperidin-4-yl] carbamate
CID 68563261
N-[2-[[6-(4-formyl-4-phenylpyridine-1-carbonyl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 141245599
N-[2-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]acetamide
CID 10108600
ethyl 1-[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl]-4-phenylpyridine-4-carboxylate
CID 141245625
N-[2-[[2-phenyl-6-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 59128538
N-[2-[[2-phenyl-6-(4-phenylmethoxypiperidine-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 59128294
N-[2-[[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 59128293

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 70932286) is 4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide is CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(C(N)=O)cc12.
What is the InChIKey of 4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is CTMADUTUKXBIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-10(24)19-7-8-20-16-12-9-13(14(18)25)21-17(12)23-15(22-16)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,18,25)(H,19,24)(H2,20,21,22,23).
What are the key properties of 4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.27, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 70932286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).