2-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine

C18H20N4OS — CID 70738861

IUPAC2-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCC(OCc3cccnc3)CC2)c2ccsc2n1
InChIInChI=1S/C18H20N4OS/c1-13-20-17(16-6-10-24-18(16)21-13)22-8-4-15(5-9-22)23-12-14-3-2-7-19-11-14/h2-3,6-7,10-11,15H,4-5,8-9,12H2,1H3
InChIKeyXNSOLDFHPKYZHZ-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.58
Rot. Bonds4

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

2-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 70738861) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID70738861
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name2-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCC(OCc3cccnc3)CC2)c2ccsc2n1
InChIInChI=1S/C18H20N4OS/c1-13-20-17(16-6-10-24-18(16)21-13)22-8-4-15(5-9-22)23-12-14-3-2-7-19-11-14/h2-3,6-7,10-11,15H,4-5,8-9,12H2,1H3
InChIKeyXNSOLDFHPKYZHZ-UHFFFAOYSA-N
XLogP3.58
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine (CID 70738861) is 2-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine is Cc1nc(N2CCC(OCc3cccnc3)CC2)c2ccsc2n1.
What is the InChIKey of 2-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is XNSOLDFHPKYZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-13-20-17(16-6-10-24-18(16)21-13)22-8-4-15(5-9-22)23-12-14-3-2-7-19-11-14/h2-3,6-7,10-11,15H,4-5,8-9,12H2,1H3.
What are the key properties of 2-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine?
2-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 340.45 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 70738861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).