9a-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1,6,7,9-tetrahydro-[1,4]oxazino[3,4-c][1,4]oxazin-4-one

C15H18N4O3S — CID 146137217

IUPAC9a-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1,6,7,9-tetrahydro-[1,4]oxazino[3,4-c][1,4]oxazin-4-one
SMILESCc1csc2ncnc(NCC34COCCN3C(=O)COC4)c12
InChIInChI=1S/C15H18N4O3S/c1-10-5-23-14-12(10)13(17-9-18-14)16-6-15-7-21-3-2-19(15)11(20)4-22-8-15/h5,9H,2-4,6-8H2,1H3,(H,16,17,18)
InChIKeyJCDHPZQDBRDTEX-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.04
Rot. Bonds3

About 9a-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1,6,7,9-tetrahydro-[1,4]oxazino[3,4-c][1,4]oxazin-4-one

9a-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1,6,7,9-tetrahydro-[1,4]oxazino[3,4-c][1,4]oxazin-4-one (PubChem CID 146137217) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 9a-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1,6,7,9-tetrahydro-[1,4]oxazino[3,4-c][1,4]oxazin-4-one.

Molecular Properties

Compound Name9a-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1,6,7,9-tetrahydro-[1,4]oxazino[3,4-c][1,4]oxazin-4-one
PubChem CID146137217
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name9a-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1,6,7,9-tetrahydro-[1,4]oxazino[3,4-c][1,4]oxazin-4-one
SMILESCc1csc2ncnc(NCC34COCCN3C(=O)COC4)c12
InChIInChI=1S/C15H18N4O3S/c1-10-5-23-14-12(10)13(17-9-18-14)16-6-15-7-21-3-2-19(15)11(20)4-22-8-15/h5,9H,2-4,6-8H2,1H3,(H,16,17,18)
InChIKeyJCDHPZQDBRDTEX-UHFFFAOYSA-N
XLogP1.04
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 9a-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1,6,7,9-tetrahydro-[1,4]oxazino[3,4-c][1,4]oxazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9a-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1,6,7,9-tetrahydro-[1,4]oxazino[3,4-c][1,4]oxazin-4-one?
The IUPAC name of 9a-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1,6,7,9-tetrahydro-[1,4]oxazino[3,4-c][1,4]oxazin-4-one (CID 146137217) is 9a-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1,6,7,9-tetrahydro-[1,4]oxazino[3,4-c][1,4]oxazin-4-one.
What is the SMILES notation for 9a-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1,6,7,9-tetrahydro-[1,4]oxazino[3,4-c][1,4]oxazin-4-one?
The canonical SMILES for 9a-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1,6,7,9-tetrahydro-[1,4]oxazino[3,4-c][1,4]oxazin-4-one is Cc1csc2ncnc(NCC34COCCN3C(=O)COC4)c12.
What is the InChIKey of 9a-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1,6,7,9-tetrahydro-[1,4]oxazino[3,4-c][1,4]oxazin-4-one?
The InChIKey is JCDHPZQDBRDTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-10-5-23-14-12(10)13(17-9-18-14)16-6-15-7-21-3-2-19(15)11(20)4-22-8-15/h5,9H,2-4,6-8H2,1H3,(H,16,17,18).
What are the key properties of 9a-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1,6,7,9-tetrahydro-[1,4]oxazino[3,4-c][1,4]oxazin-4-one?
9a-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1,6,7,9-tetrahydro-[1,4]oxazino[3,4-c][1,4]oxazin-4-one has a molecular weight of 334.40 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9a-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1,6,7,9-tetrahydro-[1,4]oxazino[3,4-c][1,4]oxazin-4-one is sourced from PubChem (CID 146137217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).