5,6-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]thieno[2,3-d]pyrimidine

C19H22N4OS — CID 127043635

IUPAC5,6-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1ccc(OC2CCN(c3ncnc4sc(C)c(C)c34)CC2)cn1
InChIInChI=1S/C19H22N4OS/c1-12-4-5-16(10-20-12)24-15-6-8-23(9-7-15)18-17-13(2)14(3)25-19(17)22-11-21-18/h4-5,10-11,15H,6-9H2,1-3H3
InChIKeyJPYANMJNIDAFLN-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.06
Rot. Bonds3

About 5,6-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]thieno[2,3-d]pyrimidine

5,6-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 127043635) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 5,6-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID127043635
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name5,6-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1ccc(OC2CCN(c3ncnc4sc(C)c(C)c34)CC2)cn1
InChIInChI=1S/C19H22N4OS/c1-12-4-5-16(10-20-12)24-15-6-8-23(9-7-15)18-17-13(2)14(3)25-19(17)22-11-21-18/h4-5,10-11,15H,6-9H2,1-3H3
InChIKeyJPYANMJNIDAFLN-UHFFFAOYSA-N
XLogP4.06
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]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 5,6-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 5,6-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]thieno[2,3-d]pyrimidine (CID 127043635) is 5,6-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 5,6-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]thieno[2,3-d]pyrimidine is Cc1ccc(OC2CCN(c3ncnc4sc(C)c(C)c34)CC2)cn1.
What is the InChIKey of 5,6-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is JPYANMJNIDAFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-12-4-5-16(10-20-12)24-15-6-8-23(9-7-15)18-17-13(2)14(3)25-19(17)22-11-21-18/h4-5,10-11,15H,6-9H2,1-3H3.
What are the key properties of 5,6-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]thieno[2,3-d]pyrimidine?
5,6-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 354.48 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 127043635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).