2-methyl-1-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]oxypropan-2-ol

C17H19N3O2S — CID 100668691

IUPAC2-methyl-1-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]oxypropan-2-ol
SMILESCc1nc(NOCC(C)(C)O)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C17H19N3O2S/c1-11-18-15(20-22-10-17(2,3)21)13-9-14(23-16(13)19-11)12-7-5-4-6-8-12/h4-9,21H,10H2,1-3H3,(H,18,19,20)
InChIKeyOMIFQYSLRLSWDB-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.78
Rot. Bonds5

About 2-methyl-1-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]oxypropan-2-ol

2-methyl-1-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]oxypropan-2-ol (PubChem CID 100668691) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-methyl-1-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]oxypropan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]oxypropan-2-ol
PubChem CID100668691
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name2-methyl-1-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]oxypropan-2-ol
SMILESCc1nc(NOCC(C)(C)O)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C17H19N3O2S/c1-11-18-15(20-22-10-17(2,3)21)13-9-14(23-16(13)19-11)12-7-5-4-6-8-12/h4-9,21H,10H2,1-3H3,(H,18,19,20)
InChIKeyOMIFQYSLRLSWDB-UHFFFAOYSA-N
XLogP3.78
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]oxypropan-2-ol?
The IUPAC name of 2-methyl-1-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]oxypropan-2-ol (CID 100668691) is 2-methyl-1-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]oxypropan-2-ol.
What is the SMILES notation for 2-methyl-1-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]oxypropan-2-ol?
The canonical SMILES for 2-methyl-1-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]oxypropan-2-ol is Cc1nc(NOCC(C)(C)O)c2cc(-c3ccccc3)sc2n1.
What is the InChIKey of 2-methyl-1-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]oxypropan-2-ol?
The InChIKey is OMIFQYSLRLSWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11-18-15(20-22-10-17(2,3)21)13-9-14(23-16(13)19-11)12-7-5-4-6-8-12/h4-9,21H,10H2,1-3H3,(H,18,19,20).
What are the key properties of 2-methyl-1-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]oxypropan-2-ol?
2-methyl-1-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]oxypropan-2-ol has a molecular weight of 329.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]oxypropan-2-ol is sourced from PubChem (CID 100668691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).