6-(2-methoxy-3-pyridinyl)-4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidine

C27H26N6O2S — CID 167390313

IUPAC6-(2-methoxy-3-pyridinyl)-4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidine
SMILESCOc1ncccc1-c1sc2nc(-c3nccn3C)nc(N3CCC(OC)C3)c2c1-c1ccccc1
InChIInChI=1S/C27H26N6O2S/c1-32-15-13-28-25(32)23-30-24(33-14-11-18(16-33)34-2)21-20(17-8-5-4-6-9-17)22(36-27(21)31-23)19-10-7-12-29-26(19)35-3/h4-10,12-13,15,18H,11,14,16H2,1-3H3
InChIKeyDGQSYJFKQMVLTO-UHFFFAOYSA-N
MW498.61 g/mol
LogP5.05
Rot. Bonds6

About 6-(2-methoxy-3-pyridinyl)-4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidine

6-(2-methoxy-3-pyridinyl)-4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidine (PubChem CID 167390313) has the molecular formula C27H26N6O2S and a molecular weight of 498.61 g/mol. Its IUPAC name is 6-(2-methoxy-3-pyridinyl)-4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-(2-methoxy-3-pyridinyl)-4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidine
PubChem CID167390313
Molecular FormulaC27H26N6O2S
Molecular Weight498.61 g/mol
Exact Mass498.18
IUPAC Name6-(2-methoxy-3-pyridinyl)-4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidine
SMILESCOc1ncccc1-c1sc2nc(-c3nccn3C)nc(N3CCC(OC)C3)c2c1-c1ccccc1
InChIInChI=1S/C27H26N6O2S/c1-32-15-13-28-25(32)23-30-24(33-14-11-18(16-33)34-2)21-20(17-8-5-4-6-9-17)22(36-27(21)31-23)19-10-7-12-29-26(19)35-3/h4-10,12-13,15,18H,11,14,16H2,1-3H3
InChIKeyDGQSYJFKQMVLTO-UHFFFAOYSA-N
XLogP5.05
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.61
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-3-pyridinyl)-4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 6-(2-methoxy-3-pyridinyl)-4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidine (CID 167390313) is 6-(2-methoxy-3-pyridinyl)-4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-(2-methoxy-3-pyridinyl)-4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 6-(2-methoxy-3-pyridinyl)-4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidine is COc1ncccc1-c1sc2nc(-c3nccn3C)nc(N3CCC(OC)C3)c2c1-c1ccccc1.
What is the InChIKey of 6-(2-methoxy-3-pyridinyl)-4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidine?
The InChIKey is DGQSYJFKQMVLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2S/c1-32-15-13-28-25(32)23-30-24(33-14-11-18(16-33)34-2)21-20(17-8-5-4-6-9-17)22(36-27(21)31-23)19-10-7-12-29-26(19)35-3/h4-10,12-13,15,18H,11,14,16H2,1-3H3.
What are the key properties of 6-(2-methoxy-3-pyridinyl)-4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidine?
6-(2-methoxy-3-pyridinyl)-4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidine has a molecular weight of 498.61 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-3-pyridinyl)-4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 167390313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).