[(3R)-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanol

C20H23N3OS — CID 94381226

IUPAC[(3R)-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCc1ccc(-c2csc3ncnc(N4CCC[C@@H](CO)C4)c23)cc1C
InChIInChI=1S/C20H23N3OS/c1-13-5-6-16(8-14(13)2)17-11-25-20-18(17)19(21-12-22-20)23-7-3-4-15(9-23)10-24/h5-6,8,11-12,15,24H,3-4,7,9-10H2,1-2H3/t15-/m1/s1
InChIKeyCKHWFODLGRGDNP-OAHLLOKOSA-N
MW353.49 g/mol
LogP4.18
Rot. Bonds3

About [(3R)-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanol

[(3R)-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 94381226) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is [(3R)-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID94381226
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name[(3R)-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCc1ccc(-c2csc3ncnc(N4CCC[C@@H](CO)C4)c23)cc1C
InChIInChI=1S/C20H23N3OS/c1-13-5-6-16(8-14(13)2)17-11-25-20-18(17)19(21-12-22-20)23-7-3-4-15(9-23)10-24/h5-6,8,11-12,15,24H,3-4,7,9-10H2,1-2H3/t15-/m1/s1
InChIKeyCKHWFODLGRGDNP-OAHLLOKOSA-N
XLogP4.18
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 94381226) is [(3R)-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanol is Cc1ccc(-c2csc3ncnc(N4CCC[C@@H](CO)C4)c23)cc1C.
What is the InChIKey of [(3R)-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is CKHWFODLGRGDNP-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-13-5-6-16(8-14(13)2)17-11-25-20-18(17)19(21-12-22-20)23-7-3-4-15(9-23)10-24/h5-6,8,11-12,15,24H,3-4,7,9-10H2,1-2H3/t15-/m1/s1.
What are the key properties of [(3R)-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanol?
[(3R)-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 353.49 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 94381226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).