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

C18H23N5S — CID 133492865

IUPAC2,5-dimethyl-4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCCC(Cc3nccn3C)C2)c2c(C)csc2n1
InChIInChI=1S/C18H23N5S/c1-12-11-24-18-16(12)17(20-13(2)21-18)23-7-4-5-14(10-23)9-15-19-6-8-22(15)3/h6,8,11,14H,4-5,7,9-10H2,1-3H3
InChIKeyOIKAJJNKLDAJDM-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.50
Rot. Bonds3

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

2,5-dimethyl-4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 133492865) has the molecular formula C18H23N5S and a molecular weight of 341.48 g/mol. Its IUPAC name is 2,5-dimethyl-4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,5-dimethyl-4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID133492865
Molecular FormulaC18H23N5S
Molecular Weight341.48 g/mol
Exact Mass341.17
IUPAC Name2,5-dimethyl-4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCCC(Cc3nccn3C)C2)c2c(C)csc2n1
InChIInChI=1S/C18H23N5S/c1-12-11-24-18-16(12)17(20-13(2)21-18)23-7-4-5-14(10-23)9-15-19-6-8-22(15)3/h6,8,11,14H,4-5,7,9-10H2,1-3H3
InChIKeyOIKAJJNKLDAJDM-UHFFFAOYSA-N
XLogP3.50
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 2,5-dimethyl-4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine (CID 133492865) is 2,5-dimethyl-4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2,5-dimethyl-4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 2,5-dimethyl-4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine is Cc1nc(N2CCCC(Cc3nccn3C)C2)c2c(C)csc2n1.
What is the InChIKey of 2,5-dimethyl-4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is OIKAJJNKLDAJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5S/c1-12-11-24-18-16(12)17(20-13(2)21-18)23-7-4-5-14(10-23)9-15-19-6-8-22(15)3/h6,8,11,14H,4-5,7,9-10H2,1-3H3.
What are the key properties of 2,5-dimethyl-4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine?
2,5-dimethyl-4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 341.48 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 133492865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).