[4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone

C15H15N5O3S — CID 45275621

IUPAC[4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
SMILESCc1cc(-c2nc(N)c3cc(C(=O)N4CCOCC4)sc3n2)no1
InChIInChI=1S/C15H15N5O3S/c1-8-6-10(19-23-8)13-17-12(16)9-7-11(24-14(9)18-13)15(21)20-2-4-22-5-3-20/h6-7H,2-5H2,1H3,(H2,16,17,18)
InChIKeyHAVIRUFOWDATPT-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.71
Rot. Bonds2

About [4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone

[4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone (PubChem CID 45275621) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is [4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
PubChem CID45275621
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Name[4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
SMILESCc1cc(-c2nc(N)c3cc(C(=O)N4CCOCC4)sc3n2)no1
InChIInChI=1S/C15H15N5O3S/c1-8-6-10(19-23-8)13-17-12(16)9-7-11(24-14(9)18-13)15(21)20-2-4-22-5-3-20/h6-7H,2-5H2,1H3,(H2,16,17,18)
InChIKeyHAVIRUFOWDATPT-UHFFFAOYSA-N
XLogP1.71
TPSA107.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone (CID 45275621) is [4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone is Cc1cc(-c2nc(N)c3cc(C(=O)N4CCOCC4)sc3n2)no1.
What is the InChIKey of [4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
The InChIKey is HAVIRUFOWDATPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-8-6-10(19-23-8)13-17-12(16)9-7-11(24-14(9)18-13)15(21)20-2-4-22-5-3-20/h6-7H,2-5H2,1H3,(H2,16,17,18).
What are the key properties of [4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
[4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone has a molecular weight of 345.38 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 45275621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).