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

C15H20ClN3OS — CID 61406446

IUPAC[1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-2-yl]methanol
SMILESCc1sc2nc(CN3CCCCC3CO)nc(Cl)c2c1C
InChIInChI=1S/C15H20ClN3OS/c1-9-10(2)21-15-13(9)14(16)17-12(18-15)7-19-6-4-3-5-11(19)8-20/h11,20H,3-8H2,1-2H3
InChIKeyZPBZUZWUWMVVCL-UHFFFAOYSA-N
MW325.87 g/mol
LogP3.31
Rot. Bonds3

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

[1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-2-yl]methanol (PubChem CID 61406446) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is [1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-2-yl]methanol
PubChem CID61406446
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC Name[1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-2-yl]methanol
SMILESCc1sc2nc(CN3CCCCC3CO)nc(Cl)c2c1C
InChIInChI=1S/C15H20ClN3OS/c1-9-10(2)21-15-13(9)14(16)17-12(18-15)7-19-6-4-3-5-11(19)8-20/h11,20H,3-8H2,1-2H3
InChIKeyZPBZUZWUWMVVCL-UHFFFAOYSA-N
XLogP3.31
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-2-yl]methanol with MolForge

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Related Compounds

[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 62189753
[(2R)-1-[[(2S)-1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 95789060
4-chloro-2-(cyclohexyloxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43329285
[5,6-dimethyl-2-[(2-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244800
[1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanol
CID 110016996
4-chloro-2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 62129002
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol
CID 116637274
[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-2-yl]methanol
CID 80609754
[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]methanol
CID 60685083
4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-3,3-dimethylmorpholine
CID 61432869
4-chloro-5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine
CID 2412396
4-chloro-5,6-dimethyl-2-(1,2,4-triazol-1-ylmethyl)thieno[2,3-d]pyrimidine
CID 43146912

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-2-yl]methanol (CID 61406446) is [1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-2-yl]methanol is Cc1sc2nc(CN3CCCCC3CO)nc(Cl)c2c1C.
What is the InChIKey of [1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-2-yl]methanol?
The InChIKey is ZPBZUZWUWMVVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3OS/c1-9-10(2)21-15-13(9)14(16)17-12(18-15)7-19-6-4-3-5-11(19)8-20/h11,20H,3-8H2,1-2H3.
What are the key properties of [1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-2-yl]methanol?
[1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-2-yl]methanol has a molecular weight of 325.87 g/mol, XLogP of 3.31, 3 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-2-yl]methanol is sourced from PubChem (CID 61406446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).