N-(3-ethenoxypropyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine

C17H17N3OS — CID 4783159

IUPACN-(3-ethenoxypropyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESC=COCCCNc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C17H17N3OS/c1-2-21-10-6-9-18-16-14-11-15(13-7-4-3-5-8-13)22-17(14)20-12-19-16/h2-5,7-8,11-12H,1,6,9-10H2,(H,18,19,20)
InChIKeyOSKHHWVHCRXCQO-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.32
Rot. Bonds7

About N-(3-ethenoxypropyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine

N-(3-ethenoxypropyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 4783159) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(3-ethenoxypropyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-ethenoxypropyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID4783159
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-(3-ethenoxypropyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESC=COCCCNc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C17H17N3OS/c1-2-21-10-6-9-18-16-14-11-15(13-7-4-3-5-8-13)22-17(14)20-12-19-16/h2-5,7-8,11-12H,1,6,9-10H2,(H,18,19,20)
InChIKeyOSKHHWVHCRXCQO-UHFFFAOYSA-N
XLogP4.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethenoxypropyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-ethenoxypropyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine (CID 4783159) is N-(3-ethenoxypropyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-ethenoxypropyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-ethenoxypropyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine is C=COCCCNc1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of N-(3-ethenoxypropyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OSKHHWVHCRXCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-2-21-10-6-9-18-16-14-11-15(13-7-4-3-5-8-13)22-17(14)20-12-19-16/h2-5,7-8,11-12H,1,6,9-10H2,(H,18,19,20).
What are the key properties of N-(3-ethenoxypropyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
N-(3-ethenoxypropyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 311.41 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenoxypropyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4783159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).