6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

C25H22ClN5OS — CID 137429470

IUPAC6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3Cl)c(-c3ccccc3)c12
InChIInChI=1S/C25H22ClN5OS/c1-31-14-12-28-24(31)23-29-22(27-13-15-32-2)20-19(16-8-4-3-5-9-16)21(33-25(20)30-23)17-10-6-7-11-18(17)26/h3-12,14H,13,15H2,1-2H3,(H,27,29,30)
InChIKeyRPOZFPRMXQTADH-UHFFFAOYSA-N
MW476.01 g/mol
LogP6.14
Rot. Bonds7

About 6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 137429470) has the molecular formula C25H22ClN5OS and a molecular weight of 476.01 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID137429470
Molecular FormulaC25H22ClN5OS
Molecular Weight476.01 g/mol
Exact Mass475.12
IUPAC Name6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3Cl)c(-c3ccccc3)c12
InChIInChI=1S/C25H22ClN5OS/c1-31-14-12-28-24(31)23-29-22(27-13-15-32-2)20-19(16-8-4-3-5-9-16)21(33-25(20)30-23)17-10-6-7-11-18(17)26/h3-12,14H,13,15H2,1-2H3,(H,27,29,30)
InChIKeyRPOZFPRMXQTADH-UHFFFAOYSA-N
XLogP6.14
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.01
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 137429470) is 6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3Cl)c(-c3ccccc3)c12.
What is the InChIKey of 6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RPOZFPRMXQTADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5OS/c1-31-14-12-28-24(31)23-29-22(27-13-15-32-2)20-19(16-8-4-3-5-9-16)21(33-25(20)30-23)17-10-6-7-11-18(17)26/h3-12,14H,13,15H2,1-2H3,(H,27,29,30).
What are the key properties of 6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 476.01 g/mol, XLogP of 6.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 137429470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).