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

C19H16FN7OS — CID 59829258

IUPAC5-[6-(2-fluoro-4-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)c3sc(-c4ccnc(F)c4)cc3n2)cn1
InChIInChI=1S/C19H16FN7OS/c20-15-7-11(1-2-22-15)14-8-13-16(29-14)18(27-3-5-28-6-4-27)26-17(25-13)12-9-23-19(21)24-10-12/h1-2,7-10H,3-6H2,(H2,21,23,24)
InChIKeyIKIBEOSJQYWMMA-UHFFFAOYSA-N
MW409.45 g/mol
LogP2.77
Rot. Bonds3

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

5-[6-(2-fluoro-4-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine (PubChem CID 59829258) has the molecular formula C19H16FN7OS and a molecular weight of 409.45 g/mol. Its IUPAC name is 5-[6-(2-fluoro-4-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[6-(2-fluoro-4-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
PubChem CID59829258
Molecular FormulaC19H16FN7OS
Molecular Weight409.45 g/mol
Exact Mass409.11
IUPAC Name5-[6-(2-fluoro-4-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)c3sc(-c4ccnc(F)c4)cc3n2)cn1
InChIInChI=1S/C19H16FN7OS/c20-15-7-11(1-2-22-15)14-8-13-16(29-14)18(27-3-5-28-6-4-27)26-17(25-13)12-9-23-19(21)24-10-12/h1-2,7-10H,3-6H2,(H2,21,23,24)
InChIKeyIKIBEOSJQYWMMA-UHFFFAOYSA-N
XLogP2.77
TPSA102.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]benzoic acid
CID 25109374
5-[4-morpholin-4-yl-6-[3-(2H-tetrazol-5-yl)phenyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 25109321
5-[4-morpholin-4-yl-6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 59829333
2-[4-[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]piperazin-1-yl]ethanol
CID 59829471
(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
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-(thiomorpholin-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 66934113
1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-4-methylpiperidin-4-ol
CID 24946704
5-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)pyridin-2-amine
CID 86618369
1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 59829302
5-[6-(3-methoxyprop-1-enyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 69045124
5-[4-morpholin-4-yl-6-(1-piperazin-1-ylethyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 143690177

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-fluoro-4-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[6-(2-fluoro-4-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine (CID 59829258) is 5-[6-(2-fluoro-4-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[6-(2-fluoro-4-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[6-(2-fluoro-4-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine is Nc1ncc(-c2nc(N3CCOCC3)c3sc(-c4ccnc(F)c4)cc3n2)cn1.
What is the InChIKey of 5-[6-(2-fluoro-4-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The InChIKey is IKIBEOSJQYWMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN7OS/c20-15-7-11(1-2-22-15)14-8-13-16(29-14)18(27-3-5-28-6-4-27)26-17(25-13)12-9-23-19(21)24-10-12/h1-2,7-10H,3-6H2,(H2,21,23,24).
What are the key properties of 5-[6-(2-fluoro-4-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
5-[6-(2-fluoro-4-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine has a molecular weight of 409.45 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-fluoro-4-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 59829258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).