4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine

C15H17N5S — CID 86773022

IUPAC4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine
SMILESCn1cc(C2CCN(c3ncnc4ccsc34)CC2)cn1
InChIInChI=1S/C15H17N5S/c1-19-9-12(8-18-19)11-2-5-20(6-3-11)15-14-13(4-7-21-14)16-10-17-15/h4,7-11H,2-3,5-6H2,1H3
InChIKeyMFJGFOGPHGKTGW-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.81
Rot. Bonds2

About 4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine

4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine (PubChem CID 86773022) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine
PubChem CID86773022
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine
SMILESCn1cc(C2CCN(c3ncnc4ccsc34)CC2)cn1
InChIInChI=1S/C15H17N5S/c1-19-9-12(8-18-19)11-2-5-20(6-3-11)15-14-13(4-7-21-14)16-10-17-15/h4,7-11H,2-3,5-6H2,1H3
InChIKeyMFJGFOGPHGKTGW-UHFFFAOYSA-N
XLogP2.81
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine (CID 86773022) is 4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine is Cn1cc(C2CCN(c3ncnc4ccsc34)CC2)cn1.
What is the InChIKey of 4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine?
The InChIKey is MFJGFOGPHGKTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-19-9-12(8-18-19)11-2-5-20(6-3-11)15-14-13(4-7-21-14)16-10-17-15/h4,7-11H,2-3,5-6H2,1H3.
What are the key properties of 4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine?
4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine has a molecular weight of 299.40 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 86773022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).