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

C15H17N5S — CID 70765020

IUPAC4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylthieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCC(c3ncc[nH]3)CC2)c2ccsc2n1
InChIInChI=1S/C15H17N5S/c1-10-18-14(12-4-9-21-15(12)19-10)20-7-2-11(3-8-20)13-16-5-6-17-13/h4-6,9,11H,2-3,7-8H2,1H3,(H,16,17)
InChIKeyHEONNAQFJMOQLJ-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.11
Rot. Bonds2

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

4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylthieno[2,3-d]pyrimidine (PubChem CID 70765020) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylthieno[2,3-d]pyrimidine
PubChem CID70765020
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylthieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCC(c3ncc[nH]3)CC2)c2ccsc2n1
InChIInChI=1S/C15H17N5S/c1-10-18-14(12-4-9-21-15(12)19-10)20-7-2-11(3-8-20)13-16-5-6-17-13/h4-6,9,11H,2-3,7-8H2,1H3,(H,16,17)
InChIKeyHEONNAQFJMOQLJ-UHFFFAOYSA-N
XLogP3.11
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.11
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]-2-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylthieno[2,3-d]pyrimidine (CID 70765020) is 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylthieno[2,3-d]pyrimidine is Cc1nc(N2CCC(c3ncc[nH]3)CC2)c2ccsc2n1.
What is the InChIKey of 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylthieno[2,3-d]pyrimidine?
The InChIKey is HEONNAQFJMOQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-10-18-14(12-4-9-21-15(12)19-10)20-7-2-11(3-8-20)13-16-5-6-17-13/h4-6,9,11H,2-3,7-8H2,1H3,(H,16,17).
What are the key properties of 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylthieno[2,3-d]pyrimidine?
4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylthieno[2,3-d]pyrimidine has a molecular weight of 299.40 g/mol, XLogP of 3.11, 2 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]-2-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 70765020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).