N-[2-[2-[2-[6-(2-chlorophenyl)-4-(2-methoxyethylamino)-5-phenylthieno[2,3-d]pyrimidin-2-yl]imidazol-1-yl]ethoxy]ethyl]-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine

C50H43ClN10O2S2 — CID 146424623

IUPACN-[2-[2-[2-[6-(2-chlorophenyl)-4-(2-methoxyethylamino)-5-phenylthieno[2,3-d]pyrimidin-2-yl]imidazol-1-yl]ethoxy]ethyl]-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCCNc1nc(-c2nccn2CCOCCNc2nc(-c3cn(C)cn3)nc3sc(-c4ccccc4)c(-c4ccccc4)c23)nc2sc(-c3ccccc3Cl)c(-c3ccccc3)c12
InChIInChI=1S/C50H43ClN10O2S2/c1-60-30-37(55-31-60)44-56-45(40-38(32-14-6-3-7-15-32)42(64-49(40)58-44)34-18-10-5-11-19-34)53-24-28-63-29-26-61-25-22-54-48(61)47-57-46(52-23-27-62-2)41-39(33-16-8-4-9-17-33)43(65-50(41)59-47)35-20-12-13-21-36(35)51/h3-22,25,30-31H,23-24,26-29H2,1-2H3,(H,52,57,59)(H,53,56,58)
InChIKeyWKEGZOJOWSQIRT-UHFFFAOYSA-N
MW915.55 g/mol
LogP11.47
Rot. Bonds17

About N-[2-[2-[2-[6-(2-chlorophenyl)-4-(2-methoxyethylamino)-5-phenylthieno[2,3-d]pyrimidin-2-yl]imidazol-1-yl]ethoxy]ethyl]-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine

N-[2-[2-[2-[6-(2-chlorophenyl)-4-(2-methoxyethylamino)-5-phenylthieno[2,3-d]pyrimidin-2-yl]imidazol-1-yl]ethoxy]ethyl]-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 146424623) has the molecular formula C50H43ClN10O2S2 and a molecular weight of 915.55 g/mol. Its IUPAC name is N-[2-[2-[2-[6-(2-chlorophenyl)-4-(2-methoxyethylamino)-5-phenylthieno[2,3-d]pyrimidin-2-yl]imidazol-1-yl]ethoxy]ethyl]-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-[2-[2-[6-(2-chlorophenyl)-4-(2-methoxyethylamino)-5-phenylthieno[2,3-d]pyrimidin-2-yl]imidazol-1-yl]ethoxy]ethyl]-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID146424623
Molecular FormulaC50H43ClN10O2S2
Molecular Weight915.55 g/mol
Exact Mass914.27
IUPAC NameN-[2-[2-[2-[6-(2-chlorophenyl)-4-(2-methoxyethylamino)-5-phenylthieno[2,3-d]pyrimidin-2-yl]imidazol-1-yl]ethoxy]ethyl]-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCCNc1nc(-c2nccn2CCOCCNc2nc(-c3cn(C)cn3)nc3sc(-c4ccccc4)c(-c4ccccc4)c23)nc2sc(-c3ccccc3Cl)c(-c3ccccc3)c12
InChIInChI=1S/C50H43ClN10O2S2/c1-60-30-37(55-31-60)44-56-45(40-38(32-14-6-3-7-15-32)42(64-49(40)58-44)34-18-10-5-11-19-34)53-24-28-63-29-26-61-25-22-54-48(61)47-57-46(52-23-27-62-2)41-39(33-16-8-4-9-17-33)43(65-50(41)59-47)35-20-12-13-21-36(35)51/h3-22,25,30-31H,23-24,26-29H2,1-2H3,(H,52,57,59)(H,53,56,58)
InChIKeyWKEGZOJOWSQIRT-UHFFFAOYSA-N
XLogP11.47
TPSA129.72 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500915.55
LogP ≤ 511.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-[2-[2-[2-[6-(2-chlorophenyl)-4-(2-methoxyethylamino)-5-phenylthieno[2,3-d]pyrimidin-2-yl]imidazol-1-yl]ethoxy]ethyl]-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[6-(2-chlorophenyl)-4-(2-methoxyethylamino)-5-phenylthieno[2,3-d]pyrimidin-2-yl]imidazol-1-yl]ethoxy]ethyl]-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-[2-[2-[6-(2-chlorophenyl)-4-(2-methoxyethylamino)-5-phenylthieno[2,3-d]pyrimidin-2-yl]imidazol-1-yl]ethoxy]ethyl]-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine (CID 146424623) is N-[2-[2-[2-[6-(2-chlorophenyl)-4-(2-methoxyethylamino)-5-phenylthieno[2,3-d]pyrimidin-2-yl]imidazol-1-yl]ethoxy]ethyl]-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-[2-[2-[6-(2-chlorophenyl)-4-(2-methoxyethylamino)-5-phenylthieno[2,3-d]pyrimidin-2-yl]imidazol-1-yl]ethoxy]ethyl]-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-[2-[2-[6-(2-chlorophenyl)-4-(2-methoxyethylamino)-5-phenylthieno[2,3-d]pyrimidin-2-yl]imidazol-1-yl]ethoxy]ethyl]-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine is COCCNc1nc(-c2nccn2CCOCCNc2nc(-c3cn(C)cn3)nc3sc(-c4ccccc4)c(-c4ccccc4)c23)nc2sc(-c3ccccc3Cl)c(-c3ccccc3)c12.
What is the InChIKey of N-[2-[2-[2-[6-(2-chlorophenyl)-4-(2-methoxyethylamino)-5-phenylthieno[2,3-d]pyrimidin-2-yl]imidazol-1-yl]ethoxy]ethyl]-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WKEGZOJOWSQIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H43ClN10O2S2/c1-60-30-37(55-31-60)44-56-45(40-38(32-14-6-3-7-15-32)42(64-49(40)58-44)34-18-10-5-11-19-34)53-24-28-63-29-26-61-25-22-54-48(61)47-57-46(52-23-27-62-2)41-39(33-16-8-4-9-17-33)43(65-50(41)59-47)35-20-12-13-21-36(35)51/h3-22,25,30-31H,23-24,26-29H2,1-2H3,(H,52,57,59)(H,53,56,58).
What are the key properties of N-[2-[2-[2-[6-(2-chlorophenyl)-4-(2-methoxyethylamino)-5-phenylthieno[2,3-d]pyrimidin-2-yl]imidazol-1-yl]ethoxy]ethyl]-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine?
N-[2-[2-[2-[6-(2-chlorophenyl)-4-(2-methoxyethylamino)-5-phenylthieno[2,3-d]pyrimidin-2-yl]imidazol-1-yl]ethoxy]ethyl]-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 915.55 g/mol, XLogP of 11.47, 17 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[6-(2-chlorophenyl)-4-(2-methoxyethylamino)-5-phenylthieno[2,3-d]pyrimidin-2-yl]imidazol-1-yl]ethoxy]ethyl]-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 146424623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).