4-chloro-2-(3,5-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine

C14H18ClN3S — CID 82309122

IUPAC4-chloro-2-(3,5-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(Cl)nc(N3CC(C)CC(C)C3)nc2s1
InChIInChI=1S/C14H18ClN3S/c1-8-4-9(2)7-18(6-8)14-16-12(15)11-5-10(3)19-13(11)17-14/h5,8-9H,4,6-7H2,1-3H3
InChIKeyWIAIOFUQWUFALV-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.14
Rot. Bonds1

About 4-chloro-2-(3,5-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine

4-chloro-2-(3,5-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine (PubChem CID 82309122) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 4-chloro-2-(3,5-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3,5-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
PubChem CID82309122
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name4-chloro-2-(3,5-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(Cl)nc(N3CC(C)CC(C)C3)nc2s1
InChIInChI=1S/C14H18ClN3S/c1-8-4-9(2)7-18(6-8)14-16-12(15)11-5-10(3)19-13(11)17-14/h5,8-9H,4,6-7H2,1-3H3
InChIKeyWIAIOFUQWUFALV-UHFFFAOYSA-N
XLogP4.14
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,5-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(3,5-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine (CID 82309122) is 4-chloro-2-(3,5-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(3,5-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(3,5-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine is Cc1cc2c(Cl)nc(N3CC(C)CC(C)C3)nc2s1.
What is the InChIKey of 4-chloro-2-(3,5-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is WIAIOFUQWUFALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-8-4-9(2)7-18(6-8)14-16-12(15)11-5-10(3)19-13(11)17-14/h5,8-9H,4,6-7H2,1-3H3.
What are the key properties of 4-chloro-2-(3,5-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine?
4-chloro-2-(3,5-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 295.84 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,5-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 82309122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).