4-N-(2-dimethylphosphorylphenyl)-2-N-[5-ethyl-2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine

C38H57N8O3PSi — CID 172541327

IUPAC4-N-(2-dimethylphosphorylphenyl)-2-N-[5-ethyl-2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc(Nc2nc(Nc3ccccc3P(C)(C)=O)c3ccn(COCC[Si](C)(C)C)c3n2)c(OC)cc1N1CCC(N2CCNCC2)CC1
InChIInChI=1S/C38H57N8O3PSi/c1-8-28-25-32(34(48-2)26-33(28)45-18-13-29(14-19-45)44-21-16-39-17-22-44)41-38-42-36(40-31-11-9-10-12-35(31)50(3,4)47)30-15-20-46(37(30)43-38)27-49-23-24-51(5,6)7/h9-12,15,20,25-26,29,39H,8,13-14,16-19,21-24,27H2,1-7H3,(H2,40,41,42,43)
InChIKeyXOIWMNXMAKIECF-UHFFFAOYSA-N
MW732.99 g/mol
LogP6.92
Rot. Bonds14

About 4-N-(2-dimethylphosphorylphenyl)-2-N-[5-ethyl-2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine

4-N-(2-dimethylphosphorylphenyl)-2-N-[5-ethyl-2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 172541327) has the molecular formula C38H57N8O3PSi and a molecular weight of 732.99 g/mol. Its IUPAC name is 4-N-(2-dimethylphosphorylphenyl)-2-N-[5-ethyl-2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-dimethylphosphorylphenyl)-2-N-[5-ethyl-2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID172541327
Molecular FormulaC38H57N8O3PSi
Molecular Weight732.99 g/mol
Exact Mass732.41
IUPAC Name4-N-(2-dimethylphosphorylphenyl)-2-N-[5-ethyl-2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc(Nc2nc(Nc3ccccc3P(C)(C)=O)c3ccn(COCC[Si](C)(C)C)c3n2)c(OC)cc1N1CCC(N2CCNCC2)CC1
InChIInChI=1S/C38H57N8O3PSi/c1-8-28-25-32(34(48-2)26-33(28)45-18-13-29(14-19-45)44-21-16-39-17-22-44)41-38-42-36(40-31-11-9-10-12-35(31)50(3,4)47)30-15-20-46(37(30)43-38)27-49-23-24-51(5,6)7/h9-12,15,20,25-26,29,39H,8,13-14,16-19,21-24,27H2,1-7H3,(H2,40,41,42,43)
InChIKeyXOIWMNXMAKIECF-UHFFFAOYSA-N
XLogP6.92
TPSA108.81 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500732.99
LogP ≤ 56.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 4-N-(2-dimethylphosphorylphenyl)-2-N-[5-ethyl-2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine 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

4-N-(2-dimethylphosphorylphenyl)-2-N-[5-ethyl-2-methyl-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 172541470
tert-butyl 4-[1-[4-[[4-(2-dimethylphosphorylanilino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-ethyl-5-(2-hydroxypropan-2-yl)phenyl]piperidin-4-yl]piperazine-1-carboxylate
CID 172541270
4-N-(2-dimethylphosphorylphenyl)-2-N-[5-ethyl-2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]-5-(triazol-1-yl)pyrimidine-2,4-diamine
CID 172541393
N-[5-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-4-methoxy-2-(4-piperazin-1-ylpiperidin-1-yl)phenyl]-3-methylbut-2-enamide
CID 176856572
methyl 4-(2-dimethylphosphorylanilino)-2-[5-ethyl-2-methoxy-4-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]piperidin-1-yl]anilino]pyrimidine-5-carboxylate
CID 172541403
5-bromo-2-N-[5-ethyl-2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]-4-N-[2-(1-oxo-1λ5-phospholan-1-yl)phenyl]pyrimidine-2,4-diamine
CID 166067654
1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-2-ethyl-5-methoxyphenyl]piperidin-4-one
CID 167272762
2-chloro-N-(2-dimethylphosphoryl-5-ethenylphenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 156755773
4-N-(2-dimethylphosphoryl-4-propylphenyl)-2-N-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-5-methoxypyrimidine-2,4-diamine
CID 156725993
5-bromo-4-N-[4-(5-cyclopropylpyrimidin-2-yl)-2-dimethylphosphorylphenyl]-2-N-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine
CID 166504334
(E)-N-[5-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-4-methoxy-2-(4-piperazin-1-ylpiperidin-1-yl)phenyl]-4-piperidin-1-ylbut-2-enamide
CID 176856571
5-chloro-4-N-(4-dimethylphosphorylquinolin-3-yl)-2-N-[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine
CID 155240202

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-dimethylphosphorylphenyl)-2-N-[5-ethyl-2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-dimethylphosphorylphenyl)-2-N-[5-ethyl-2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 172541327) is 4-N-(2-dimethylphosphorylphenyl)-2-N-[5-ethyl-2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-dimethylphosphorylphenyl)-2-N-[5-ethyl-2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-dimethylphosphorylphenyl)-2-N-[5-ethyl-2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine is CCc1cc(Nc2nc(Nc3ccccc3P(C)(C)=O)c3ccn(COCC[Si](C)(C)C)c3n2)c(OC)cc1N1CCC(N2CCNCC2)CC1.
What is the InChIKey of 4-N-(2-dimethylphosphorylphenyl)-2-N-[5-ethyl-2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is XOIWMNXMAKIECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H57N8O3PSi/c1-8-28-25-32(34(48-2)26-33(28)45-18-13-29(14-19-45)44-21-16-39-17-22-44)41-38-42-36(40-31-11-9-10-12-35(31)50(3,4)47)30-15-20-46(37(30)43-38)27-49-23-24-51(5,6)7/h9-12,15,20,25-26,29,39H,8,13-14,16-19,21-24,27H2,1-7H3,(H2,40,41,42,43).
What are the key properties of 4-N-(2-dimethylphosphorylphenyl)-2-N-[5-ethyl-2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine?
4-N-(2-dimethylphosphorylphenyl)-2-N-[5-ethyl-2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 732.99 g/mol, XLogP of 6.92, 14 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-dimethylphosphorylphenyl)-2-N-[5-ethyl-2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 172541327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).