N-[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide

C20H20N4O2S — CID 46227571

IUPACN-[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3sccc3n2)cc1
InChIInChI=1S/C20H20N4O2S/c1-12(25)21-14-4-2-13(3-5-14)19-22-17-8-9-27-18(17)20(23-19)24-10-15-6-7-16(11-24)26-15/h2-5,8-9,15-16H,6-7,10-11H2,1H3,(H,21,25)
InChIKeyMMVNGBAMDGGFQY-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.68
Rot. Bonds3

About N-[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide

N-[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide (PubChem CID 46227571) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide
PubChem CID46227571
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3sccc3n2)cc1
InChIInChI=1S/C20H20N4O2S/c1-12(25)21-14-4-2-13(3-5-14)19-22-17-8-9-27-18(17)20(23-19)24-10-15-6-7-16(11-24)26-15/h2-5,8-9,15-16H,6-7,10-11H2,1H3,(H,21,25)
InChIKeyMMVNGBAMDGGFQY-UHFFFAOYSA-N
XLogP3.68
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-Phenylthieno[3,2-d]pyrimidin-4-yl)morpholine
CID 1485383
mTOR inhibitor-13
CID 46227572
1-(4-(4-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl)phenyl)-3-(pyridin-4-yl)urea
CID 46227579
mTOR inhibitor 9a
CID 46227596
mTOR inhibitor 9b
CID 46227599
mTOR inhibitor 9c
CID 46227600
1-(4-(4-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-2-yl)phenyl)-3-cyclopropylurea
CID 46227604
1-(4-(4-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-2-yl)phenyl)-3-(pyridin-3-yl)urea
CID 46227606
1-(4-(4-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-2-yl)phenyl)-3-(pyridin-4-yl)urea
CID 46227608
mTOR inhibitor 9d
CID 46227615
1-(4-(4-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl)phenyl)-3-cyclopropylurea
CID 46227620
N4-[3-(dimethylamino)propyl]-N2-methyl-6-(4-morpholinophenyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 76328817

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide (CID 46227571) is N-[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3sccc3n2)cc1.
What is the InChIKey of N-[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide?
The InChIKey is MMVNGBAMDGGFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-12(25)21-14-4-2-13(3-5-14)19-22-17-8-9-27-18(17)20(23-19)24-10-15-6-7-16(11-24)26-15/h2-5,8-9,15-16H,6-7,10-11H2,1H3,(H,21,25).
What are the key properties of N-[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide?
N-[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide has a molecular weight of 380.47 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide is sourced from PubChem (CID 46227571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).