1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol

C14H18ClN3OS — CID 61434696

IUPAC1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol
SMILESCc1sc2nc(CN3CCCC(O)C3)nc(Cl)c2c1C
InChIInChI=1S/C14H18ClN3OS/c1-8-9(2)20-14-12(8)13(15)16-11(17-14)7-18-5-3-4-10(19)6-18/h10,19H,3-7H2,1-2H3
InChIKeyBGXHWMYYBVVYKB-UHFFFAOYSA-N
MW311.84 g/mol
LogP2.92
Rot. Bonds2

About 1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol

1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol (PubChem CID 61434696) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol
PubChem CID61434696
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol
SMILESCc1sc2nc(CN3CCCC(O)C3)nc(Cl)c2c1C
InChIInChI=1S/C14H18ClN3OS/c1-8-9(2)20-14-12(8)13(15)16-11(17-14)7-18-5-3-4-10(19)6-18/h10,19H,3-7H2,1-2H3
InChIKeyBGXHWMYYBVVYKB-UHFFFAOYSA-N
XLogP2.92
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol 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 1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol (CID 61434696) is 1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol is Cc1sc2nc(CN3CCCC(O)C3)nc(Cl)c2c1C.
What is the InChIKey of 1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol?
The InChIKey is BGXHWMYYBVVYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c1-8-9(2)20-14-12(8)13(15)16-11(17-14)7-18-5-3-4-10(19)6-18/h10,19H,3-7H2,1-2H3.
What are the key properties of 1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol?
1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol has a molecular weight of 311.84 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 61434696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).