(4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(oxazinan-2-yl)methanone

C13H16N4O2S — CID 146091471

IUPAC(4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(oxazinan-2-yl)methanone
SMILESCc1nc(N)c2c(C)c(C(=O)N3CCCCO3)sc2n1
InChIInChI=1S/C13H16N4O2S/c1-7-9-11(14)15-8(2)16-12(9)20-10(7)13(18)17-5-3-4-6-19-17/h3-6H2,1-2H3,(H2,14,15,16)
InChIKeyVAGLDWYTWWJUGL-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.06
Rot. Bonds1

About (4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(oxazinan-2-yl)methanone

(4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(oxazinan-2-yl)methanone (PubChem CID 146091471) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is (4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(oxazinan-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(oxazinan-2-yl)methanone
PubChem CID146091471
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name(4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(oxazinan-2-yl)methanone
SMILESCc1nc(N)c2c(C)c(C(=O)N3CCCCO3)sc2n1
InChIInChI=1S/C13H16N4O2S/c1-7-9-11(14)15-8(2)16-12(9)20-10(7)13(18)17-5-3-4-6-19-17/h3-6H2,1-2H3,(H2,14,15,16)
InChIKeyVAGLDWYTWWJUGL-UHFFFAOYSA-N
XLogP2.06
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(oxazinan-2-yl)methanone?
The IUPAC name of (4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(oxazinan-2-yl)methanone (CID 146091471) is (4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(oxazinan-2-yl)methanone.
What is the SMILES notation for (4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(oxazinan-2-yl)methanone?
The canonical SMILES for (4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(oxazinan-2-yl)methanone is Cc1nc(N)c2c(C)c(C(=O)N3CCCCO3)sc2n1.
What is the InChIKey of (4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(oxazinan-2-yl)methanone?
The InChIKey is VAGLDWYTWWJUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-7-9-11(14)15-8(2)16-12(9)20-10(7)13(18)17-5-3-4-6-19-17/h3-6H2,1-2H3,(H2,14,15,16).
What are the key properties of (4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(oxazinan-2-yl)methanone?
(4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(oxazinan-2-yl)methanone has a molecular weight of 292.36 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(oxazinan-2-yl)methanone is sourced from PubChem (CID 146091471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).