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

C19H22N6O2S — CID 70676450

IUPAC5-[6-(3,3-dimethyloxetan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESCC1(C)COC1c1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C19H22N6O2S/c1-19(2)10-27-15(19)13-7-12-14(28-13)17(25-3-5-26-6-4-25)24-16(23-12)11-8-21-18(20)22-9-11/h7-9,15H,3-6,10H2,1-2H3,(H2,20,21,22)
InChIKeyTVBMHSCAUHDXHV-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.66
Rot. Bonds3

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

5-[6-(3,3-dimethyloxetan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine (PubChem CID 70676450) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is 5-[6-(3,3-dimethyloxetan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[6-(3,3-dimethyloxetan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
PubChem CID70676450
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC Name5-[6-(3,3-dimethyloxetan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESCC1(C)COC1c1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C19H22N6O2S/c1-19(2)10-27-15(19)13-7-12-14(28-13)17(25-3-5-26-6-4-25)24-16(23-12)11-8-21-18(20)22-9-11/h7-9,15H,3-6,10H2,1-2H3,(H2,20,21,22)
InChIKeyTVBMHSCAUHDXHV-UHFFFAOYSA-N
XLogP2.66
TPSA99.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(3,3-dimethyloxetan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[6-(3,3-dimethyloxetan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine (CID 70676450) is 5-[6-(3,3-dimethyloxetan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[6-(3,3-dimethyloxetan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[6-(3,3-dimethyloxetan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine is CC1(C)COC1c1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1.
What is the InChIKey of 5-[6-(3,3-dimethyloxetan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The InChIKey is TVBMHSCAUHDXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-19(2)10-27-15(19)13-7-12-14(28-13)17(25-3-5-26-6-4-25)24-16(23-12)11-8-21-18(20)22-9-11/h7-9,15H,3-6,10H2,1-2H3,(H2,20,21,22).
What are the key properties of 5-[6-(3,3-dimethyloxetan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
5-[6-(3,3-dimethyloxetan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine has a molecular weight of 398.49 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3,3-dimethyloxetan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 70676450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).