[8-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]methanol

C20H21N3OS — CID 140661432

IUPAC[8-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]methanol
SMILESOCC1CC2CCC(C1)N2c1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C20H21N3OS/c24-10-13-8-15-6-7-16(9-13)23(15)19-18-17(14-4-2-1-3-5-14)11-25-20(18)22-12-21-19/h1-5,11-13,15-16,24H,6-10H2
InChIKeyMQAAMHLZZLVPAO-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.10
Rot. Bonds3

About [8-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]methanol

[8-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]methanol (PubChem CID 140661432) has the molecular formula C20H21N3OS and a molecular weight of 351.47 g/mol. Its IUPAC name is [8-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]methanol.

Molecular Properties

Compound Name[8-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]methanol
PubChem CID140661432
Molecular FormulaC20H21N3OS
Molecular Weight351.47 g/mol
Exact Mass351.14
IUPAC Name[8-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]methanol
SMILESOCC1CC2CCC(C1)N2c1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C20H21N3OS/c24-10-13-8-15-6-7-16(9-13)23(15)19-18-17(14-4-2-1-3-5-14)11-25-20(18)22-12-21-19/h1-5,11-13,15-16,24H,6-10H2
InChIKeyMQAAMHLZZLVPAO-UHFFFAOYSA-N
XLogP4.10
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [8-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]methanol with MolForge

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Related Compounds

4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 675438
[4-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
CID 71931211
4-(azepan-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 758218
1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 127024573
5-phenyl-4-piperazin-4-ium-1-ylthieno[2,3-d]pyrimidine
CID 6922306
2-[(3R)-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)morpholin-3-yl]ethanol
CID 97248156
2-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetonitrile
CID 23736071
4-iodo-5-phenylthieno[2,3-d]pyrimidine
CID 147258357
[(3R)-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 94381226
3-methyl-5-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 55885848
4-methyl-5-phenylthieno[2,3-d]pyrimidine
CID 118145924
4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
CID 55680748

Frequently Asked Questions

What is the IUPAC name of [8-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]methanol?
The IUPAC name of [8-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]methanol (CID 140661432) is [8-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]methanol.
What is the SMILES notation for [8-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]methanol?
The canonical SMILES for [8-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]methanol is OCC1CC2CCC(C1)N2c1ncnc2scc(-c3ccccc3)c12.
What is the InChIKey of [8-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]methanol?
The InChIKey is MQAAMHLZZLVPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c24-10-13-8-15-6-7-16(9-13)23(15)19-18-17(14-4-2-1-3-5-14)11-25-20(18)22-12-21-19/h1-5,11-13,15-16,24H,6-10H2.
What are the key properties of [8-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]methanol?
[8-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]methanol has a molecular weight of 351.47 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]methanol is sourced from PubChem (CID 140661432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).