5-[7-morpholin-4-yl-2-(6-morpholin-4-yl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyrimidin-2-amine

C22H23N9O2S — CID 25254457

IUPAC5-[7-morpholin-4-yl-2-(6-morpholin-4-yl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)c3nc(-c4ccc(N5CCOCC5)nc4)sc3n2)cn1
InChIInChI=1S/C22H23N9O2S/c23-22-25-12-15(13-26-22)18-28-19(31-5-9-33-10-6-31)17-21(29-18)34-20(27-17)14-1-2-16(24-11-14)30-3-7-32-8-4-30/h1-2,11-13H,3-10H2,(H2,23,25,26)
InChIKeyDARMXCIKWOEHNQ-UHFFFAOYSA-N
MW477.55 g/mol
LogP1.86
Rot. Bonds4

About 5-[7-morpholin-4-yl-2-(6-morpholin-4-yl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyrimidin-2-amine

5-[7-morpholin-4-yl-2-(6-morpholin-4-yl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyrimidin-2-amine (PubChem CID 25254457) has the molecular formula C22H23N9O2S and a molecular weight of 477.55 g/mol. Its IUPAC name is 5-[7-morpholin-4-yl-2-(6-morpholin-4-yl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[7-morpholin-4-yl-2-(6-morpholin-4-yl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyrimidin-2-amine
PubChem CID25254457
Molecular FormulaC22H23N9O2S
Molecular Weight477.55 g/mol
Exact Mass477.17
IUPAC Name5-[7-morpholin-4-yl-2-(6-morpholin-4-yl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)c3nc(-c4ccc(N5CCOCC5)nc4)sc3n2)cn1
InChIInChI=1S/C22H23N9O2S/c23-22-25-12-15(13-26-22)18-28-19(31-5-9-33-10-6-31)17-21(29-18)34-20(27-17)14-1-2-16(24-11-14)30-3-7-32-8-4-30/h1-2,11-13H,3-10H2,(H2,23,25,26)
InChIKeyDARMXCIKWOEHNQ-UHFFFAOYSA-N
XLogP1.86
TPSA128.30 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.55
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 5-[7-morpholin-4-yl-2-(6-morpholin-4-yl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyrimidin-2-amine?
The IUPAC name of 5-[7-morpholin-4-yl-2-(6-morpholin-4-yl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyrimidin-2-amine (CID 25254457) is 5-[7-morpholin-4-yl-2-(6-morpholin-4-yl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[7-morpholin-4-yl-2-(6-morpholin-4-yl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[7-morpholin-4-yl-2-(6-morpholin-4-yl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyrimidin-2-amine is Nc1ncc(-c2nc(N3CCOCC3)c3nc(-c4ccc(N5CCOCC5)nc4)sc3n2)cn1.
What is the InChIKey of 5-[7-morpholin-4-yl-2-(6-morpholin-4-yl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyrimidin-2-amine?
The InChIKey is DARMXCIKWOEHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N9O2S/c23-22-25-12-15(13-26-22)18-28-19(31-5-9-33-10-6-31)17-21(29-18)34-20(27-17)14-1-2-16(24-11-14)30-3-7-32-8-4-30/h1-2,11-13H,3-10H2,(H2,23,25,26).
What are the key properties of 5-[7-morpholin-4-yl-2-(6-morpholin-4-yl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyrimidin-2-amine?
5-[7-morpholin-4-yl-2-(6-morpholin-4-yl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyrimidin-2-amine has a molecular weight of 477.55 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-morpholin-4-yl-2-(6-morpholin-4-yl-3-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 25254457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).