6-tert-butyl-2-methyl-4-piperidin-4-ylthieno[3,2-d]pyrimidine;hydrochloride

C16H24ClN3S — CID 70016451

IUPAC6-tert-butyl-2-methyl-4-piperidin-4-ylthieno[3,2-d]pyrimidine;hydrochloride
SMILESCc1nc(C2CCNCC2)c2sc(C(C)(C)C)cc2n1.Cl
InChIInChI=1S/C16H23N3S.ClH/c1-10-18-12-9-13(16(2,3)4)20-15(12)14(19-10)11-5-7-17-8-6-11;/h9,11,17H,5-8H2,1-4H3;1H
InChIKeyRJCDUIARGRZRFI-UHFFFAOYSA-N
MW325.91 g/mol
LogP4.19
Rot. Bonds1

About 6-tert-butyl-2-methyl-4-piperidin-4-ylthieno[3,2-d]pyrimidine;hydrochloride

6-tert-butyl-2-methyl-4-piperidin-4-ylthieno[3,2-d]pyrimidine;hydrochloride (PubChem CID 70016451) has the molecular formula C16H24ClN3S and a molecular weight of 325.91 g/mol. Its IUPAC name is 6-tert-butyl-2-methyl-4-piperidin-4-ylthieno[3,2-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name6-tert-butyl-2-methyl-4-piperidin-4-ylthieno[3,2-d]pyrimidine;hydrochloride
PubChem CID70016451
Molecular FormulaC16H24ClN3S
Molecular Weight325.91 g/mol
Exact Mass325.14
IUPAC Name6-tert-butyl-2-methyl-4-piperidin-4-ylthieno[3,2-d]pyrimidine;hydrochloride
SMILESCc1nc(C2CCNCC2)c2sc(C(C)(C)C)cc2n1.Cl
InChIInChI=1S/C16H23N3S.ClH/c1-10-18-12-9-13(16(2,3)4)20-15(12)14(19-10)11-5-7-17-8-6-11;/h9,11,17H,5-8H2,1-4H3;1H
InChIKeyRJCDUIARGRZRFI-UHFFFAOYSA-N
XLogP4.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.91
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-methyl-4-piperidin-4-ylthieno[3,2-d]pyrimidine;hydrochloride?
The IUPAC name of 6-tert-butyl-2-methyl-4-piperidin-4-ylthieno[3,2-d]pyrimidine;hydrochloride (CID 70016451) is 6-tert-butyl-2-methyl-4-piperidin-4-ylthieno[3,2-d]pyrimidine;hydrochloride.
What is the SMILES notation for 6-tert-butyl-2-methyl-4-piperidin-4-ylthieno[3,2-d]pyrimidine;hydrochloride?
The canonical SMILES for 6-tert-butyl-2-methyl-4-piperidin-4-ylthieno[3,2-d]pyrimidine;hydrochloride is Cc1nc(C2CCNCC2)c2sc(C(C)(C)C)cc2n1.Cl.
What is the InChIKey of 6-tert-butyl-2-methyl-4-piperidin-4-ylthieno[3,2-d]pyrimidine;hydrochloride?
The InChIKey is RJCDUIARGRZRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S.ClH/c1-10-18-12-9-13(16(2,3)4)20-15(12)14(19-10)11-5-7-17-8-6-11;/h9,11,17H,5-8H2,1-4H3;1H.
What are the key properties of 6-tert-butyl-2-methyl-4-piperidin-4-ylthieno[3,2-d]pyrimidine;hydrochloride?
6-tert-butyl-2-methyl-4-piperidin-4-ylthieno[3,2-d]pyrimidine;hydrochloride has a molecular weight of 325.91 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methyl-4-piperidin-4-ylthieno[3,2-d]pyrimidine;hydrochloride is sourced from PubChem (CID 70016451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).