3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]oxetan-3-ol

C18H20N6O3S — CID 70676302

IUPAC3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]oxetan-3-ol
SMILESCc1c(C2(O)COC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12
InChIInChI=1S/C18H20N6O3S/c1-10-12-13(28-14(10)18(25)8-27-9-18)16(24-2-4-26-5-3-24)23-15(22-12)11-6-20-17(19)21-7-11/h6-7,25H,2-5,8-9H2,1H3,(H2,19,20,21)
InChIKeyWFNHWGJUTMQYKY-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.09
Rot. Bonds3

About 3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]oxetan-3-ol

3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]oxetan-3-ol (PubChem CID 70676302) has the molecular formula C18H20N6O3S and a molecular weight of 400.46 g/mol. Its IUPAC name is 3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]oxetan-3-ol.

Molecular Properties

Compound Name3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]oxetan-3-ol
PubChem CID70676302
Molecular FormulaC18H20N6O3S
Molecular Weight400.46 g/mol
Exact Mass400.13
IUPAC Name3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]oxetan-3-ol
SMILESCc1c(C2(O)COC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12
InChIInChI=1S/C18H20N6O3S/c1-10-12-13(28-14(10)18(25)8-27-9-18)16(24-2-4-26-5-3-24)23-15(22-12)11-6-20-17(19)21-7-11/h6-7,25H,2-5,8-9H2,1H3,(H2,19,20,21)
InChIKeyWFNHWGJUTMQYKY-UHFFFAOYSA-N
XLogP1.09
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]oxetan-3-ol?
The IUPAC name of 3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]oxetan-3-ol (CID 70676302) is 3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]oxetan-3-ol.
What is the SMILES notation for 3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]oxetan-3-ol?
The canonical SMILES for 3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]oxetan-3-ol is Cc1c(C2(O)COC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12.
What is the InChIKey of 3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]oxetan-3-ol?
The InChIKey is WFNHWGJUTMQYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3S/c1-10-12-13(28-14(10)18(25)8-27-9-18)16(24-2-4-26-5-3-24)23-15(22-12)11-6-20-17(19)21-7-11/h6-7,25H,2-5,8-9H2,1H3,(H2,19,20,21).
What are the key properties of 3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]oxetan-3-ol?
3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]oxetan-3-ol has a molecular weight of 400.46 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]oxetan-3-ol is sourced from PubChem (CID 70676302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).