4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-phenylthieno[2,3-d]pyrimidine

C20H19N5S — CID 47089176

IUPAC4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-phenylthieno[2,3-d]pyrimidine
SMILESc1ccc(-c2cc3c(N4CCC(c5ncc[nH]5)CC4)ncnc3s2)cc1
InChIInChI=1S/C20H19N5S/c1-2-4-14(5-3-1)17-12-16-19(23-13-24-20(16)26-17)25-10-6-15(7-11-25)18-21-8-9-22-18/h1-5,8-9,12-13,15H,6-7,10-11H2,(H,21,22)
InChIKeyPEDPSDFRMOIWTL-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.47
Rot. Bonds3

About 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-phenylthieno[2,3-d]pyrimidine

4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-phenylthieno[2,3-d]pyrimidine (PubChem CID 47089176) has the molecular formula C20H19N5S and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-phenylthieno[2,3-d]pyrimidine
PubChem CID47089176
Molecular FormulaC20H19N5S
Molecular Weight361.47 g/mol
Exact Mass361.14
IUPAC Name4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-phenylthieno[2,3-d]pyrimidine
SMILESc1ccc(-c2cc3c(N4CCC(c5ncc[nH]5)CC4)ncnc3s2)cc1
InChIInChI=1S/C20H19N5S/c1-2-4-14(5-3-1)17-12-16-19(23-13-24-20(16)26-17)25-10-6-15(7-11-25)18-21-8-9-22-18/h1-5,8-9,12-13,15H,6-7,10-11H2,(H,21,22)
InChIKeyPEDPSDFRMOIWTL-UHFFFAOYSA-N
XLogP4.47
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-phenylthieno[2,3-d]pyrimidine (CID 47089176) is 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-phenylthieno[2,3-d]pyrimidine is c1ccc(-c2cc3c(N4CCC(c5ncc[nH]5)CC4)ncnc3s2)cc1.
What is the InChIKey of 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-phenylthieno[2,3-d]pyrimidine?
The InChIKey is PEDPSDFRMOIWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5S/c1-2-4-14(5-3-1)17-12-16-19(23-13-24-20(16)26-17)25-10-6-15(7-11-25)18-21-8-9-22-18/h1-5,8-9,12-13,15H,6-7,10-11H2,(H,21,22).
What are the key properties of 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-phenylthieno[2,3-d]pyrimidine?
4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-phenylthieno[2,3-d]pyrimidine has a molecular weight of 361.47 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 47089176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).