5-[6-(3-methoxyoxetan-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]-N-methylpyrimidin-2-amine

C19H22N6O3S — CID 59829612

IUPAC5-[6-(3-methoxyoxetan-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]-N-methylpyrimidin-2-amine
SMILESCNc1ncc(-c2nc(N3CCOCC3)c3sc(C4(OC)COC4)cc3n2)cn1
InChIInChI=1S/C19H22N6O3S/c1-20-18-21-8-12(9-22-18)16-23-13-7-14(19(26-2)10-28-11-19)29-15(13)17(24-16)25-3-5-27-6-4-25/h7-9H,3-6,10-11H2,1-2H3,(H,20,21,22)
InChIKeyQFYZZVWRTOQFME-UHFFFAOYSA-N
MW414.49 g/mol
LogP1.90
Rot. Bonds5

About 5-[6-(3-methoxyoxetan-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]-N-methylpyrimidin-2-amine

5-[6-(3-methoxyoxetan-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]-N-methylpyrimidin-2-amine (PubChem CID 59829612) has the molecular formula C19H22N6O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is 5-[6-(3-methoxyoxetan-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[6-(3-methoxyoxetan-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]-N-methylpyrimidin-2-amine
PubChem CID59829612
Molecular FormulaC19H22N6O3S
Molecular Weight414.49 g/mol
Exact Mass414.15
IUPAC Name5-[6-(3-methoxyoxetan-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]-N-methylpyrimidin-2-amine
SMILESCNc1ncc(-c2nc(N3CCOCC3)c3sc(C4(OC)COC4)cc3n2)cn1
InChIInChI=1S/C19H22N6O3S/c1-20-18-21-8-12(9-22-18)16-23-13-7-14(19(26-2)10-28-11-19)29-15(13)17(24-16)25-3-5-27-6-4-25/h7-9H,3-6,10-11H2,1-2H3,(H,20,21,22)
InChIKeyQFYZZVWRTOQFME-UHFFFAOYSA-N
XLogP1.90
TPSA94.52 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1-methylsulfinylpiperidin-4-ol
CID 143694962
5-[6-(3-methoxyprop-1-enyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 69045124
N-methyl-1-[4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methanamine
CID 59592837
1-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine
CID 118928401
1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-4-methylpiperidin-4-ol
CID 24946704
1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol
CID 89235079
5-[4-morpholin-4-yl-6-(1-piperazin-1-ylethyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 143690177
N-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 59829279
1-[2-(2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol
CID 143572292
5-[4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 66934113
(2R)-1-[[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]amino]propan-2-ol
CID 59829487
2-[2-(5-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
CID 59829481

Frequently Asked Questions

What is the IUPAC name of 5-[6-(3-methoxyoxetan-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 5-[6-(3-methoxyoxetan-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]-N-methylpyrimidin-2-amine (CID 59829612) is 5-[6-(3-methoxyoxetan-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-[6-(3-methoxyoxetan-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-[6-(3-methoxyoxetan-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]-N-methylpyrimidin-2-amine is CNc1ncc(-c2nc(N3CCOCC3)c3sc(C4(OC)COC4)cc3n2)cn1.
What is the InChIKey of 5-[6-(3-methoxyoxetan-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]-N-methylpyrimidin-2-amine?
The InChIKey is QFYZZVWRTOQFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3S/c1-20-18-21-8-12(9-22-18)16-23-13-7-14(19(26-2)10-28-11-19)29-15(13)17(24-16)25-3-5-27-6-4-25/h7-9H,3-6,10-11H2,1-2H3,(H,20,21,22).
What are the key properties of 5-[6-(3-methoxyoxetan-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]-N-methylpyrimidin-2-amine?
5-[6-(3-methoxyoxetan-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]-N-methylpyrimidin-2-amine has a molecular weight of 414.49 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3-methoxyoxetan-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 59829612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).